1-tert-butyl-1-[(E)-6,6-dimethylhept-1-enyl]cyclopropane;(E)-1-(2,2-dimethylpropoxy)-4,4-dimethylpent-2-ene;1-(2,2-dimethylpropoxy)-4,4,5,5-tetramethylhexane;(E)-2,2,8,8,9,9-hexamethyldec-3-ene;(E,3S)-2,2,3,9,9-pentamethyldec-4-ene;(E)-2,2,9,9-tetramethyldec-4-ene;(E)-2,2,8,8-tetramethylnon-3-ene;(Z)-2,2,8,8-tetramethylnon-4-ene;bis((E)-2,2,8,8-tetramethylnon-4-ene);(E)-2,2,7,7-tetramethyloct-4-ene

C152H304O2 — CID 160727466

IUPAC1-tert-butyl-1-[(E)-6,6-dimethylhept-1-enyl]cyclopropane;(E)-1-(2,2-dimethylpropoxy)-4,4-dimethylpent-2-ene;1-(2,2-dimethylpropoxy)-4,4,5,5-tetramethylhexane;(E)-2,2,8,8,9,9-hexamethyldec-3-ene;(E,3S)-2,2,3,9,9-pentamethyldec-4-ene;(E)-2,2,9,9-tetramethyldec-4-ene;(E)-2,2,8,8-tetramethylnon-3-ene;(Z)-2,2,8,8-tetramethylnon-4-ene;bis((E)-2,2,8,8-tetramethylnon-4-ene);(E)-2,2,7,7-tetramethyloct-4-ene
SMILESCC(C)(C)/C=C/CCCC(C)(C)C.CC(C)(C)/C=C/CCCC(C)(C)C(C)(C)C.CC(C)(C)/C=C/COCC(C)(C)C.CC(C)(C)C/C=C/CC(C)(C)C.CC(C)(C)C/C=C/CCC(C)(C)C.CC(C)(C)C/C=C/CCC(C)(C)C.CC(C)(C)C/C=C/CCCC(C)(C)C.CC(C)(C)C/C=C\CCC(C)(C)C.CC(C)(C)CCC/C=C/C1(C(C)(C)C)CC1.CC(C)(C)COCCCC(C)(C)C(C)(C)C.C[C@@H](/C=C/CCCC(C)(C)C)C(C)(C)C
InChIInChI=1S/C16H30.C16H32.C15H32O.C15H30.C14H28.4C13H26.C12H24O.C12H24/c1-14(2,3)10-8-7-9-11-16(12-13-16)15(4,5)6;1-14(2,3)12-10-9-11-13-16(7,8)15(4,5)6;1-13(2,3)12-16-11-9-10-15(7,8)14(4,5)6;1-13(15(5,6)7)11-9-8-10-12-14(2,3)4;1-13(2,3)11-9-7-8-10-12-14(4,5)6;4*1-12(2,3)10-8-7-9-11-13(4,5)6;1-11(2,3)8-7-9-13-10-12(4,5)6;1-11(2,3)9-7-8-10-12(4,5)6/h9,11H,7-8,10,12-13H2,1-6H3;10,12H,9,11,13H2,1-8H3;9-12H2,1-8H3;9,11,13H,8,10,12H2,1-7H3;7,9H,8,10-12H2,1-6H3;8,10H,7,9,11H2,1-6H3;3*7-8H,9-11H2,1-6H3;7-8H,9-10H2,1-6H3;7-8H,9-10H2,1-6H3/b11-9+;12-10+;;11-9+;9-7+;10-8+;2*8-7+;8-7-;2*8-7+/t;;;13-;;;;;;;/m...0......./s1
InChIKeyRTWZZEMAICKEKN-VZIIOQOYSA-N
MW2164.10 g/mol
LogP54.24
Rot. Bonds38

About 1-tert-butyl-1-[(E)-6,6-dimethylhept-1-enyl]cyclopropane;(E)-1-(2,2-dimethylpropoxy)-4,4-dimethylpent-2-ene;1-(2,2-dimethylpropoxy)-4,4,5,5-tetramethylhexane;(E)-2,2,8,8,9,9-hexamethyldec-3-ene;(E,3S)-2,2,3,9,9-pentamethyldec-4-ene;(E)-2,2,9,9-tetramethyldec-4-ene;(E)-2,2,8,8-tetramethylnon-3-ene;(Z)-2,2,8,8-tetramethylnon-4-ene;bis((E)-2,2,8,8-tetramethylnon-4-ene);(E)-2,2,7,7-tetramethyloct-4-ene

1-tert-butyl-1-[(E)-6,6-dimethylhept-1-enyl]cyclopropane;(E)-1-(2,2-dimethylpropoxy)-4,4-dimethylpent-2-ene;1-(2,2-dimethylpropoxy)-4,4,5,5-tetramethylhexane;(E)-2,2,8,8,9,9-hexamethyldec-3-ene;(E,3S)-2,2,3,9,9-pentamethyldec-4-ene;(E)-2,2,9,9-tetramethyldec-4-ene;(E)-2,2,8,8-tetramethylnon-3-ene;(Z)-2,2,8,8-tetramethylnon-4-ene;bis((E)-2,2,8,8-tetramethylnon-4-ene);(E)-2,2,7,7-tetramethyloct-4-ene (PubChem CID 160727466) has the molecular formula C152H304O2 and a molecular weight of 2164.10 g/mol. Its IUPAC name is 1-tert-butyl-1-[(E)-6,6-dimethylhept-1-enyl]cyclopropane;(E)-1-(2,2-dimethylpropoxy)-4,4-dimethylpent-2-ene;1-(2,2-dimethylpropoxy)-4,4,5,5-tetramethylhexane;(E)-2,2,8,8,9,9-hexamethyldec-3-ene;(E,3S)-2,2,3,9,9-pentamethyldec-4-ene;(E)-2,2,9,9-tetramethyldec-4-ene;(E)-2,2,8,8-tetramethylnon-3-ene;(Z)-2,2,8,8-tetramethylnon-4-ene;bis((E)-2,2,8,8-tetramethylnon-4-ene);(E)-2,2,7,7-tetramethyloct-4-ene.

Molecular Properties

Compound Name1-tert-butyl-1-[(E)-6,6-dimethylhept-1-enyl]cyclopropane;(E)-1-(2,2-dimethylpropoxy)-4,4-dimethylpent-2-ene;1-(2,2-dimethylpropoxy)-4,4,5,5-tetramethylhexane;(E)-2,2,8,8,9,9-hexamethyldec-3-ene;(E,3S)-2,2,3,9,9-pentamethyldec-4-ene;(E)-2,2,9,9-tetramethyldec-4-ene;(E)-2,2,8,8-tetramethylnon-3-ene;(Z)-2,2,8,8-tetramethylnon-4-ene;bis((E)-2,2,8,8-tetramethylnon-4-ene);(E)-2,2,7,7-tetramethyloct-4-ene
PubChem CID160727466
Molecular FormulaC152H304O2
Molecular Weight2164.10 g/mol
Exact Mass2162.37
IUPAC Name1-tert-butyl-1-[(E)-6,6-dimethylhept-1-enyl]cyclopropane;(E)-1-(2,2-dimethylpropoxy)-4,4-dimethylpent-2-ene;1-(2,2-dimethylpropoxy)-4,4,5,5-tetramethylhexane;(E)-2,2,8,8,9,9-hexamethyldec-3-ene;(E,3S)-2,2,3,9,9-pentamethyldec-4-ene;(E)-2,2,9,9-tetramethyldec-4-ene;(E)-2,2,8,8-tetramethylnon-3-ene;(Z)-2,2,8,8-tetramethylnon-4-ene;bis((E)-2,2,8,8-tetramethylnon-4-ene);(E)-2,2,7,7-tetramethyloct-4-ene
SMILESCC(C)(C)/C=C/CCCC(C)(C)C.CC(C)(C)/C=C/CCCC(C)(C)C(C)(C)C.CC(C)(C)/C=C/COCC(C)(C)C.CC(C)(C)C/C=C/CC(C)(C)C.CC(C)(C)C/C=C/CCC(C)(C)C.CC(C)(C)C/C=C/CCC(C)(C)C.CC(C)(C)C/C=C/CCCC(C)(C)C.CC(C)(C)C/C=C\CCC(C)(C)C.CC(C)(C)CCC/C=C/C1(C(C)(C)C)CC1.CC(C)(C)COCCCC(C)(C)C(C)(C)C.C[C@@H](/C=C/CCCC(C)(C)C)C(C)(C)C
InChIInChI=1S/C16H30.C16H32.C15H32O.C15H30.C14H28.4C13H26.C12H24O.C12H24/c1-14(2,3)10-8-7-9-11-16(12-13-16)15(4,5)6;1-14(2,3)12-10-9-11-13-16(7,8)15(4,5)6;1-13(2,3)12-16-11-9-10-15(7,8)14(4,5)6;1-13(15(5,6)7)11-9-8-10-12-14(2,3)4;1-13(2,3)11-9-7-8-10-12-14(4,5)6;4*1-12(2,3)10-8-7-9-11-13(4,5)6;1-11(2,3)8-7-9-13-10-12(4,5)6;1-11(2,3)9-7-8-10-12(4,5)6/h9,11H,7-8,10,12-13H2,1-6H3;10,12H,9,11,13H2,1-8H3;9-12H2,1-8H3;9,11,13H,8,10,12H2,1-7H3;7,9H,8,10-12H2,1-6H3;8,10H,7,9,11H2,1-6H3;3*7-8H,9-11H2,1-6H3;7-8H,9-10H2,1-6H3;7-8H,9-10H2,1-6H3/b11-9+;12-10+;;11-9+;9-7+;10-8+;2*8-7+;8-7-;2*8-7+/t;;;13-;;;;;;;/m...0......./s1
InChIKeyRTWZZEMAICKEKN-VZIIOQOYSA-N
XLogP54.24
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds38
Heavy Atoms154
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002164.10
LogP ≤ 554.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 1-tert-butyl-1-[(E)-6,6-dimethylhept-1-enyl]cyclopropane;(E)-1-(2,2-dimethylpropoxy)-4,4-dimethylpent-2-ene;1-(2,2-dimethylpropoxy)-4,4,5,5-tetramethylhexane;(E)-2,2,8,8,9,9-hexamethyldec-3-ene;(E,3S)-2,2,3,9,9-pentamethyldec-4-ene;(E)-2,2,9,9-tetramethyldec-4-ene;(E)-2,2,8,8-tetramethylnon-3-ene;(Z)-2,2,8,8-tetramethylnon-4-ene;bis((E)-2,2,8,8-tetramethylnon-4-ene);(E)-2,2,7,7-tetramethyloct-4-ene with MolForge

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Related Compounds

1-tert-butyl-1-[(E)-6,6-dimethylhept-1-enyl]cyclopropane;N-tert-butyl-N,5,5,6,6-pentamethylheptan-1-amine;N-tert-butyl-6,6,7,7-tetramethyloctan-1-amine;1-(3,3-dimethylbutoxy)-3,3-dimethylbutane;bis(1-(2,2-dimethylpropoxy)-4,4-dimethylpentane);1-(2,2-dimethylpropoxy)-4,4,5,5-tetramethylhexane;(E,3S)-2,2,3,9,9-pentamethyldec-4-ene;(E)-2,2,9,9-tetramethyldec-4-ene;(E)-2,2,8,8-tetramethylnon-3-ene;(Z)-2,2,8,8-tetramethylnon-4-ene;bis((E)-2,2,8,8-tetramethylnon-4-ene);(E)-2,2,7,7-tetramethyloct-4-ene
CID 161480394
1-(2,2-dimethylpropoxy)-2,2-dimethylpropane;2,2,6,6-tetramethylheptane;(Z)-2,2,6,6-tetramethylhept-3-ene;(3Z,5Z)-2,2,7,7-tetramethylocta-3,5-diene;2,2,7,7-tetramethyloctane
CID 167646267
1-[(Z)-4-(2,2-dimethylpropoxy)but-2-enoxy]-4,4-dimethylpentane
CID 155602878
1-[3-(2,2-dimethylpropoxy)propoxy]-4,4-dimethylpentane
CID 131972641
2,2-dimethyl-8-[(2-methylpropan-2-yl)oxy]non-3-ene
CID 123576567
2,2,6,6,7,7-hexamethyloct-3-ene
CID 140627496
(E)-2,2,9-trimethyldec-4-ene
CID 176646418
1-[4-(2,2-dimethylpropoxy)butoxy]-2,2-dimethylpropane;1-(2,2-dimethylpropoxy)-9,9-dimethyldecane;1-(2,2-dimethylpropoxy)-9,9-dimethyldec-4-ene;1-(2,2-dimethylpropoxy)-7,7-dimethyloctane;1-(2,2-dimethylpropoxy)-7,7-dimethyloct-4-ene;6-(2,2-dimethylpropoxy)-N-(2,2-dimethylpropyl)-2,2-dimethylhexanamide;6-(2,2-dimethylpropoxy)-N-(2,2-dimethylpropyl)hexanamide;2,2,12,12-tetramethyltridecan-5-one
CID 162074305
1-(3,3-dimethylbutylsulfonyl)-7,7-dimethyloctane;1-[(E)-4-(2,2-dimethylpropoxy)but-2-enoxy]-2,2-dimethylpropane;1-[4-(2,2-dimethylpropoxy)butoxy]-2,2-dimethylpropane;1-(2,2-dimethylpropoxy)-9,9-dimethyldecane;1-(2,2-dimethylpropoxy)-7,7-dimethyloctane;1-(2,2-dimethylpropoxy)-7,7-dimethyloct-4-ene;6-(2,2-dimethylpropoxy)-N-(2,2-dimethylpropyl)-2,2-dimethylhexanamide;6-(2,2-dimethylpropoxy)-N-(2,2-dimethylpropyl)hexanamide;2,2,12,12-tetramethyltridecan-5-one
CID 162244176
1-[5-(4,4-dimethylpentoxy)pentoxy]-4,4-dimethylpentane
CID 158699807
(E)-4,4-dimethyl-1-(2-methylpropoxy)pent-2-ene
CID 171766956
(E)-5-(2,2-dimethylpropoxy)-2,2-dimethyl-N-(2-methylpropyl)pent-3-enamide
CID 156566724

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-1-[(E)-6,6-dimethylhept-1-enyl]cyclopropane;(E)-1-(2,2-dimethylpropoxy)-4,4-dimethylpent-2-ene;1-(2,2-dimethylpropoxy)-4,4,5,5-tetramethylhexane;(E)-2,2,8,8,9,9-hexamethyldec-3-ene;(E,3S)-2,2,3,9,9-pentamethyldec-4-ene;(E)-2,2,9,9-tetramethyldec-4-ene;(E)-2,2,8,8-tetramethylnon-3-ene;(Z)-2,2,8,8-tetramethylnon-4-ene;bis((E)-2,2,8,8-tetramethylnon-4-ene);(E)-2,2,7,7-tetramethyloct-4-ene?
The IUPAC name of 1-tert-butyl-1-[(E)-6,6-dimethylhept-1-enyl]cyclopropane;(E)-1-(2,2-dimethylpropoxy)-4,4-dimethylpent-2-ene;1-(2,2-dimethylpropoxy)-4,4,5,5-tetramethylhexane;(E)-2,2,8,8,9,9-hexamethyldec-3-ene;(E,3S)-2,2,3,9,9-pentamethyldec-4-ene;(E)-2,2,9,9-tetramethyldec-4-ene;(E)-2,2,8,8-tetramethylnon-3-ene;(Z)-2,2,8,8-tetramethylnon-4-ene;bis((E)-2,2,8,8-tetramethylnon-4-ene);(E)-2,2,7,7-tetramethyloct-4-ene (CID 160727466) is 1-tert-butyl-1-[(E)-6,6-dimethylhept-1-enyl]cyclopropane;(E)-1-(2,2-dimethylpropoxy)-4,4-dimethylpent-2-ene;1-(2,2-dimethylpropoxy)-4,4,5,5-tetramethylhexane;(E)-2,2,8,8,9,9-hexamethyldec-3-ene;(E,3S)-2,2,3,9,9-pentamethyldec-4-ene;(E)-2,2,9,9-tetramethyldec-4-ene;(E)-2,2,8,8-tetramethylnon-3-ene;(Z)-2,2,8,8-tetramethylnon-4-ene;bis((E)-2,2,8,8-tetramethylnon-4-ene);(E)-2,2,7,7-tetramethyloct-4-ene.
What is the SMILES notation for 1-tert-butyl-1-[(E)-6,6-dimethylhept-1-enyl]cyclopropane;(E)-1-(2,2-dimethylpropoxy)-4,4-dimethylpent-2-ene;1-(2,2-dimethylpropoxy)-4,4,5,5-tetramethylhexane;(E)-2,2,8,8,9,9-hexamethyldec-3-ene;(E,3S)-2,2,3,9,9-pentamethyldec-4-ene;(E)-2,2,9,9-tetramethyldec-4-ene;(E)-2,2,8,8-tetramethylnon-3-ene;(Z)-2,2,8,8-tetramethylnon-4-ene;bis((E)-2,2,8,8-tetramethylnon-4-ene);(E)-2,2,7,7-tetramethyloct-4-ene?
The canonical SMILES for 1-tert-butyl-1-[(E)-6,6-dimethylhept-1-enyl]cyclopropane;(E)-1-(2,2-dimethylpropoxy)-4,4-dimethylpent-2-ene;1-(2,2-dimethylpropoxy)-4,4,5,5-tetramethylhexane;(E)-2,2,8,8,9,9-hexamethyldec-3-ene;(E,3S)-2,2,3,9,9-pentamethyldec-4-ene;(E)-2,2,9,9-tetramethyldec-4-ene;(E)-2,2,8,8-tetramethylnon-3-ene;(Z)-2,2,8,8-tetramethylnon-4-ene;bis((E)-2,2,8,8-tetramethylnon-4-ene);(E)-2,2,7,7-tetramethyloct-4-ene is CC(C)(C)/C=C/CCCC(C)(C)C.CC(C)(C)/C=C/CCCC(C)(C)C(C)(C)C.CC(C)(C)/C=C/COCC(C)(C)C.CC(C)(C)C/C=C/CC(C)(C)C.CC(C)(C)C/C=C/CCC(C)(C)C.CC(C)(C)C/C=C/CCC(C)(C)C.CC(C)(C)C/C=C/CCCC(C)(C)C.CC(C)(C)C/C=C\CCC(C)(C)C.CC(C)(C)CCC/C=C/C1(C(C)(C)C)CC1.CC(C)(C)COCCCC(C)(C)C(C)(C)C.C[C@@H](/C=C/CCCC(C)(C)C)C(C)(C)C.
What is the InChIKey of 1-tert-butyl-1-[(E)-6,6-dimethylhept-1-enyl]cyclopropane;(E)-1-(2,2-dimethylpropoxy)-4,4-dimethylpent-2-ene;1-(2,2-dimethylpropoxy)-4,4,5,5-tetramethylhexane;(E)-2,2,8,8,9,9-hexamethyldec-3-ene;(E,3S)-2,2,3,9,9-pentamethyldec-4-ene;(E)-2,2,9,9-tetramethyldec-4-ene;(E)-2,2,8,8-tetramethylnon-3-ene;(Z)-2,2,8,8-tetramethylnon-4-ene;bis((E)-2,2,8,8-tetramethylnon-4-ene);(E)-2,2,7,7-tetramethyloct-4-ene?
The InChIKey is RTWZZEMAICKEKN-VZIIOQOYSA-N. The full InChI is InChI=1S/C16H30.C16H32.C15H32O.C15H30.C14H28.4C13H26.C12H24O.C12H24/c1-14(2,3)10-8-7-9-11-16(12-13-16)15(4,5)6;1-14(2,3)12-10-9-11-13-16(7,8)15(4,5)6;1-13(2,3)12-16-11-9-10-15(7,8)14(4,5)6;1-13(15(5,6)7)11-9-8-10-12-14(2,3)4;1-13(2,3)11-9-7-8-10-12-14(4,5)6;4*1-12(2,3)10-8-7-9-11-13(4,5)6;1-11(2,3)8-7-9-13-10-12(4,5)6;1-11(2,3)9-7-8-10-12(4,5)6/h9,11H,7-8,10,12-13H2,1-6H3;10,12H,9,11,13H2,1-8H3;9-12H2,1-8H3;9,11,13H,8,10,12H2,1-7H3;7,9H,8,10-12H2,1-6H3;8,10H,7,9,11H2,1-6H3;3*7-8H,9-11H2,1-6H3;7-8H,9-10H2,1-6H3;7-8H,9-10H2,1-6H3/b11-9+;12-10+;;11-9+;9-7+;10-8+;2*8-7+;8-7-;2*8-7+/t;;;13-;;;;;;;/m...0......./s1.
What are the key properties of 1-tert-butyl-1-[(E)-6,6-dimethylhept-1-enyl]cyclopropane;(E)-1-(2,2-dimethylpropoxy)-4,4-dimethylpent-2-ene;1-(2,2-dimethylpropoxy)-4,4,5,5-tetramethylhexane;(E)-2,2,8,8,9,9-hexamethyldec-3-ene;(E,3S)-2,2,3,9,9-pentamethyldec-4-ene;(E)-2,2,9,9-tetramethyldec-4-ene;(E)-2,2,8,8-tetramethylnon-3-ene;(Z)-2,2,8,8-tetramethylnon-4-ene;bis((E)-2,2,8,8-tetramethylnon-4-ene);(E)-2,2,7,7-tetramethyloct-4-ene?
1-tert-butyl-1-[(E)-6,6-dimethylhept-1-enyl]cyclopropane;(E)-1-(2,2-dimethylpropoxy)-4,4-dimethylpent-2-ene;1-(2,2-dimethylpropoxy)-4,4,5,5-tetramethylhexane;(E)-2,2,8,8,9,9-hexamethyldec-3-ene;(E,3S)-2,2,3,9,9-pentamethyldec-4-ene;(E)-2,2,9,9-tetramethyldec-4-ene;(E)-2,2,8,8-tetramethylnon-3-ene;(Z)-2,2,8,8-tetramethylnon-4-ene;bis((E)-2,2,8,8-tetramethylnon-4-ene);(E)-2,2,7,7-tetramethyloct-4-ene has a molecular weight of 2164.10 g/mol, XLogP of 54.24, 38 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-1-[(E)-6,6-dimethylhept-1-enyl]cyclopropane;(E)-1-(2,2-dimethylpropoxy)-4,4-dimethylpent-2-ene;1-(2,2-dimethylpropoxy)-4,4,5,5-tetramethylhexane;(E)-2,2,8,8,9,9-hexamethyldec-3-ene;(E,3S)-2,2,3,9,9-pentamethyldec-4-ene;(E)-2,2,9,9-tetramethyldec-4-ene;(E)-2,2,8,8-tetramethylnon-3-ene;(Z)-2,2,8,8-tetramethylnon-4-ene;bis((E)-2,2,8,8-tetramethylnon-4-ene);(E)-2,2,7,7-tetramethyloct-4-ene is sourced from PubChem (CID 160727466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).