[(Z)-2,5-dimethylhex-3-en-3-yl]cyclopropane;2,5-dimethylhex-3-yne;(E)-3-ethyl-2,5-dimethylhex-3-ene;(E)-5-methyl-3-propan-2-ylhex-2-ene;(E)-2,3,4,5-tetramethylhex-3-ene

C49H94 — CID 162179995

IUPAC[(Z)-2,5-dimethylhex-3-en-3-yl]cyclopropane;2,5-dimethylhex-3-yne;(E)-3-ethyl-2,5-dimethylhex-3-ene;(E)-5-methyl-3-propan-2-ylhex-2-ene;(E)-2,3,4,5-tetramethylhex-3-ene
SMILESC/C(=C(/C)C(C)C)C(C)C.C/C=C(\CC(C)C)C(C)C.CC(C)/C=C(/C(C)C)C1CC1.CC(C)C#CC(C)C.CC/C(=C\C(C)C)C(C)C
InChIInChI=1S/C11H20.3C10H20.C8H14/c1-8(2)7-11(9(3)4)10-5-6-10;1-7(2)9(5)10(6)8(3)4;2*1-6-10(9(4)5)7-8(2)3;1-7(2)5-6-8(3)4/h7-10H,5-6H2,1-4H3;7-8H,1-6H3;7-9H,6H2,1-5H3;6,8-9H,7H2,1-5H3;7-8H,1-4H3/b11-7-;10-9+;10-7+;10-6+;
InChIKeyZOWVTKNXWLFEKS-JEEMFYGMSA-N
MW683.29 g/mol
LogP16.84
Rot. Bonds11

About [(Z)-2,5-dimethylhex-3-en-3-yl]cyclopropane;2,5-dimethylhex-3-yne;(E)-3-ethyl-2,5-dimethylhex-3-ene;(E)-5-methyl-3-propan-2-ylhex-2-ene;(E)-2,3,4,5-tetramethylhex-3-ene

[(Z)-2,5-dimethylhex-3-en-3-yl]cyclopropane;2,5-dimethylhex-3-yne;(E)-3-ethyl-2,5-dimethylhex-3-ene;(E)-5-methyl-3-propan-2-ylhex-2-ene;(E)-2,3,4,5-tetramethylhex-3-ene (PubChem CID 162179995) has the molecular formula C49H94 and a molecular weight of 683.29 g/mol. Its IUPAC name is [(Z)-2,5-dimethylhex-3-en-3-yl]cyclopropane;2,5-dimethylhex-3-yne;(E)-3-ethyl-2,5-dimethylhex-3-ene;(E)-5-methyl-3-propan-2-ylhex-2-ene;(E)-2,3,4,5-tetramethylhex-3-ene.

Molecular Properties

Compound Name[(Z)-2,5-dimethylhex-3-en-3-yl]cyclopropane;2,5-dimethylhex-3-yne;(E)-3-ethyl-2,5-dimethylhex-3-ene;(E)-5-methyl-3-propan-2-ylhex-2-ene;(E)-2,3,4,5-tetramethylhex-3-ene
PubChem CID162179995
Molecular FormulaC49H94
Molecular Weight683.29 g/mol
Exact Mass682.74
IUPAC Name[(Z)-2,5-dimethylhex-3-en-3-yl]cyclopropane;2,5-dimethylhex-3-yne;(E)-3-ethyl-2,5-dimethylhex-3-ene;(E)-5-methyl-3-propan-2-ylhex-2-ene;(E)-2,3,4,5-tetramethylhex-3-ene
SMILESC/C(=C(/C)C(C)C)C(C)C.C/C=C(\CC(C)C)C(C)C.CC(C)/C=C(/C(C)C)C1CC1.CC(C)C#CC(C)C.CC/C(=C\C(C)C)C(C)C
InChIInChI=1S/C11H20.3C10H20.C8H14/c1-8(2)7-11(9(3)4)10-5-6-10;1-7(2)9(5)10(6)8(3)4;2*1-6-10(9(4)5)7-8(2)3;1-7(2)5-6-8(3)4/h7-10H,5-6H2,1-4H3;7-8H,1-6H3;7-9H,6H2,1-5H3;6,8-9H,7H2,1-5H3;7-8H,1-4H3/b11-7-;10-9+;10-7+;10-6+;
InChIKeyZOWVTKNXWLFEKS-JEEMFYGMSA-N
XLogP16.84
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds11
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500683.29
LogP ≤ 516.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze [(Z)-2,5-dimethylhex-3-en-3-yl]cyclopropane;2,5-dimethylhex-3-yne;(E)-3-ethyl-2,5-dimethylhex-3-ene;(E)-5-methyl-3-propan-2-ylhex-2-ene;(E)-2,3,4,5-tetramethylhex-3-ene with MolForge

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Launch Full Analysis

Related Compounds

methane;(Z)-5-methyl-3-propan-2-ylhex-2-ene;(E)-5-methyl-3-propan-2-ylhex-2-ene;(Z)-2,4,6-trimethylhept-3-ene;(E)-2,4,6-trimethylhept-3-ene
CID 162137230
2,6-dimethyl-4-propan-2-ylhept-3-ene
CID 123759712
N-[(E)-4-methylpentan-2-ylideneamino]cyclopropanecarboxamide
CID 19685374
methane;(Z)-2,3,4,5-tetramethylhex-3-ene;(E)-2,3,4,5-tetramethylhex-3-ene
CID 161097810
(Z)-2,4-dimethylhex-3-ene
CID 5463169
[(E)-3-ethylpent-3-en-2-yl]cyclopentane
CID 163565221
2,7-dimethyl-4-propan-2-yloct-3-ene
CID 123373088
5-ethyl-3,6-dimethylhepta-1,4-diene
CID 123520115
5-methyl-3-propan-2-yloct-2-ene
CID 123290549
3-ethyl-6-methylhept-2-en-4-one
CID 103447291
(1S,6S)-N-[(Z)-4-methylpentan-2-ylideneamino]bicyclo[4.1.0]heptane-7-carboxamide
CID 7203143
1-(4-ethylcyclohexyl)-3-methylbutan-1-one
CID 64773765

Frequently Asked Questions

What is the IUPAC name of [(Z)-2,5-dimethylhex-3-en-3-yl]cyclopropane;2,5-dimethylhex-3-yne;(E)-3-ethyl-2,5-dimethylhex-3-ene;(E)-5-methyl-3-propan-2-ylhex-2-ene;(E)-2,3,4,5-tetramethylhex-3-ene?
The IUPAC name of [(Z)-2,5-dimethylhex-3-en-3-yl]cyclopropane;2,5-dimethylhex-3-yne;(E)-3-ethyl-2,5-dimethylhex-3-ene;(E)-5-methyl-3-propan-2-ylhex-2-ene;(E)-2,3,4,5-tetramethylhex-3-ene (CID 162179995) is [(Z)-2,5-dimethylhex-3-en-3-yl]cyclopropane;2,5-dimethylhex-3-yne;(E)-3-ethyl-2,5-dimethylhex-3-ene;(E)-5-methyl-3-propan-2-ylhex-2-ene;(E)-2,3,4,5-tetramethylhex-3-ene.
What is the SMILES notation for [(Z)-2,5-dimethylhex-3-en-3-yl]cyclopropane;2,5-dimethylhex-3-yne;(E)-3-ethyl-2,5-dimethylhex-3-ene;(E)-5-methyl-3-propan-2-ylhex-2-ene;(E)-2,3,4,5-tetramethylhex-3-ene?
The canonical SMILES for [(Z)-2,5-dimethylhex-3-en-3-yl]cyclopropane;2,5-dimethylhex-3-yne;(E)-3-ethyl-2,5-dimethylhex-3-ene;(E)-5-methyl-3-propan-2-ylhex-2-ene;(E)-2,3,4,5-tetramethylhex-3-ene is C/C(=C(/C)C(C)C)C(C)C.C/C=C(\CC(C)C)C(C)C.CC(C)/C=C(/C(C)C)C1CC1.CC(C)C#CC(C)C.CC/C(=C\C(C)C)C(C)C.
What is the InChIKey of [(Z)-2,5-dimethylhex-3-en-3-yl]cyclopropane;2,5-dimethylhex-3-yne;(E)-3-ethyl-2,5-dimethylhex-3-ene;(E)-5-methyl-3-propan-2-ylhex-2-ene;(E)-2,3,4,5-tetramethylhex-3-ene?
The InChIKey is ZOWVTKNXWLFEKS-JEEMFYGMSA-N. The full InChI is InChI=1S/C11H20.3C10H20.C8H14/c1-8(2)7-11(9(3)4)10-5-6-10;1-7(2)9(5)10(6)8(3)4;2*1-6-10(9(4)5)7-8(2)3;1-7(2)5-6-8(3)4/h7-10H,5-6H2,1-4H3;7-8H,1-6H3;7-9H,6H2,1-5H3;6,8-9H,7H2,1-5H3;7-8H,1-4H3/b11-7-;10-9+;10-7+;10-6+;.
What are the key properties of [(Z)-2,5-dimethylhex-3-en-3-yl]cyclopropane;2,5-dimethylhex-3-yne;(E)-3-ethyl-2,5-dimethylhex-3-ene;(E)-5-methyl-3-propan-2-ylhex-2-ene;(E)-2,3,4,5-tetramethylhex-3-ene?
[(Z)-2,5-dimethylhex-3-en-3-yl]cyclopropane;2,5-dimethylhex-3-yne;(E)-3-ethyl-2,5-dimethylhex-3-ene;(E)-5-methyl-3-propan-2-ylhex-2-ene;(E)-2,3,4,5-tetramethylhex-3-ene has a molecular weight of 683.29 g/mol, XLogP of 16.84, 11 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-2,5-dimethylhex-3-en-3-yl]cyclopropane;2,5-dimethylhex-3-yne;(E)-3-ethyl-2,5-dimethylhex-3-ene;(E)-5-methyl-3-propan-2-ylhex-2-ene;(E)-2,3,4,5-tetramethylhex-3-ene is sourced from PubChem (CID 162179995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).