2-(3,7-dimethyloct-1-enyl)-1-methyl-3-(2-methylcyclopropyl)cyclobutane

C19H34 — CID 123594595

IUPAC2-(3,7-dimethyloct-1-enyl)-1-methyl-3-(2-methylcyclopropyl)cyclobutane
SMILESCC(C)CCCC(C)C=CC1C(C)CC1C1CC1C
InChIInChI=1S/C19H34/c1-13(2)7-6-8-14(3)9-10-17-15(4)12-19(17)18-11-16(18)5/h9-10,13-19H,6-8,11-12H2,1-5H3
InChIKeyRYEWDMOJDOIMDW-UHFFFAOYSA-N
MW262.48 g/mol
LogP5.93
Rot. Bonds7

About 2-(3,7-dimethyloct-1-enyl)-1-methyl-3-(2-methylcyclopropyl)cyclobutane

2-(3,7-dimethyloct-1-enyl)-1-methyl-3-(2-methylcyclopropyl)cyclobutane (PubChem CID 123594595) has the molecular formula C19H34 and a molecular weight of 262.48 g/mol. Its IUPAC name is 2-(3,7-dimethyloct-1-enyl)-1-methyl-3-(2-methylcyclopropyl)cyclobutane.

Molecular Properties

Compound Name2-(3,7-dimethyloct-1-enyl)-1-methyl-3-(2-methylcyclopropyl)cyclobutane
PubChem CID123594595
Molecular FormulaC19H34
Molecular Weight262.48 g/mol
Exact Mass262.27
IUPAC Name2-(3,7-dimethyloct-1-enyl)-1-methyl-3-(2-methylcyclopropyl)cyclobutane
SMILESCC(C)CCCC(C)C=CC1C(C)CC1C1CC1C
InChIInChI=1S/C19H34/c1-13(2)7-6-8-14(3)9-10-17-15(4)12-19(17)18-11-16(18)5/h9-10,13-19H,6-8,11-12H2,1-5H3
InChIKeyRYEWDMOJDOIMDW-UHFFFAOYSA-N
XLogP5.93
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500262.48
LogP ≤ 55.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

[(E)-3,7-dimethyloct-1-enoxy]cyclopropane
CID 174976448
3,7,11,15-tetramethylhexadec-1-en-1-ol
CID 74375943
2,5-dimethylbicyclo[2.2.0]hexane
CID 91558991
1-methyl-4-[(E)-3-methylhept-1-enyl]cyclohexane
CID 144959741
1,3-dimethyl-2-(4-methylpentyl)cyclobutane
CID 123570825
1-methyl-2-(7-methyloctyl)cyclopropane
CID 123963548
(Z,2R)-5,9-dimethyl-2-methylphosphanyldec-3-en-1-amine
CID 126755705
(3R,7S)-3,7,11-trimethyldodec-1-ene
CID 25113592
2,6,10,14-tetramethylpentadecanal
CID 14671060
(1R,4R,5S)-4-[(E,3R,7R,12R,16R)-18-[(1S,4R,6S)-4-hydroxy-2,2,6-trimethylcyclohexyl]-3,7,12,16-tetramethyloctadec-17-enyl]-3,3,5-trimethylcyclohexan-1-ol
CID 172991149
3,8-dimethylnon-1-ene
CID 54356105
1-methyl-2-(5-methylhexan-2-yl)cyclopropane
CID 91344454

Frequently Asked Questions

What is the IUPAC name of 2-(3,7-dimethyloct-1-enyl)-1-methyl-3-(2-methylcyclopropyl)cyclobutane?
The IUPAC name of 2-(3,7-dimethyloct-1-enyl)-1-methyl-3-(2-methylcyclopropyl)cyclobutane (CID 123594595) is 2-(3,7-dimethyloct-1-enyl)-1-methyl-3-(2-methylcyclopropyl)cyclobutane.
What is the SMILES notation for 2-(3,7-dimethyloct-1-enyl)-1-methyl-3-(2-methylcyclopropyl)cyclobutane?
The canonical SMILES for 2-(3,7-dimethyloct-1-enyl)-1-methyl-3-(2-methylcyclopropyl)cyclobutane is CC(C)CCCC(C)C=CC1C(C)CC1C1CC1C.
What is the InChIKey of 2-(3,7-dimethyloct-1-enyl)-1-methyl-3-(2-methylcyclopropyl)cyclobutane?
The InChIKey is RYEWDMOJDOIMDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34/c1-13(2)7-6-8-14(3)9-10-17-15(4)12-19(17)18-11-16(18)5/h9-10,13-19H,6-8,11-12H2,1-5H3.
What are the key properties of 2-(3,7-dimethyloct-1-enyl)-1-methyl-3-(2-methylcyclopropyl)cyclobutane?
2-(3,7-dimethyloct-1-enyl)-1-methyl-3-(2-methylcyclopropyl)cyclobutane has a molecular weight of 262.48 g/mol, XLogP of 5.93, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,7-dimethyloct-1-enyl)-1-methyl-3-(2-methylcyclopropyl)cyclobutane is sourced from PubChem (CID 123594595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).