1-(3-ethyl-5-methylhex-5-en-3-yl)-4-methylcyclohexane

C16H30 — CID 90899580

IUPAC1-(3-ethyl-5-methylhex-5-en-3-yl)-4-methylcyclohexane
SMILESC=C(C)CC(CC)(CC)C1CCC(C)CC1
InChIInChI=1S/C16H30/c1-6-16(7-2,12-13(3)4)15-10-8-14(5)9-11-15/h14-15H,3,6-12H2,1-2,4-5H3
InChIKeyLRFIVYIZNNPPQI-UHFFFAOYSA-N
MW222.42 g/mol
LogP5.59
Rot. Bonds5

About 1-(3-ethyl-5-methylhex-5-en-3-yl)-4-methylcyclohexane

1-(3-ethyl-5-methylhex-5-en-3-yl)-4-methylcyclohexane (PubChem CID 90899580) has the molecular formula C16H30 and a molecular weight of 222.42 g/mol. Its IUPAC name is 1-(3-ethyl-5-methylhex-5-en-3-yl)-4-methylcyclohexane.

Molecular Properties

Compound Name1-(3-ethyl-5-methylhex-5-en-3-yl)-4-methylcyclohexane
PubChem CID90899580
Molecular FormulaC16H30
Molecular Weight222.42 g/mol
Exact Mass222.23
IUPAC Name1-(3-ethyl-5-methylhex-5-en-3-yl)-4-methylcyclohexane
SMILESC=C(C)CC(CC)(CC)C1CCC(C)CC1
InChIInChI=1S/C16H30/c1-6-16(7-2,12-13(3)4)15-10-8-14(5)9-11-15/h14-15H,3,6-12H2,1-2,4-5H3
InChIKeyLRFIVYIZNNPPQI-UHFFFAOYSA-N
XLogP5.59
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500222.42
LogP ≤ 55.59
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

3-ethylpentan-3-ylcyclopropane
CID 91066295
1-[(4Z)-2,6-dimethyl-3-methylidenehepta-4,6-dien-2-yl]-4-methylcyclohexane
CID 142012906
1-ethyl-4-methylcyclohexane;2-methylprop-1-ene
CID 154678997
3-aminoprop-1-en-2-ol;1-methyl-4-(trifluoromethyl)cyclohexane
CID 164530936
3-ethoxy-2-(4-methylcyclohexyl)but-3-en-2-ol
CID 10242299
2-(4-methylcyclohexyl)pentan-2-ol
CID 80557496
1-methyl-4-(trifluoromethyl)cyclohexane;propane
CID 162029179
1-tert-butyl-4-methylcyclohexane;methane;propane
CID 143180691
2-cyclopentyl-2-ethylpropane-1,3-diol;bis(2-methylprop-2-enoic acid)
CID 67708962
1-methyl-5-(4-methylpent-4-enyl)cyclooctane
CID 123906241
2-cyclopropyl-2-ethyl-N-propylbutan-1-amine
CID 104819389
1,4-dimethylcyclohexane;3-methylpentane;propane
CID 91316763

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethyl-5-methylhex-5-en-3-yl)-4-methylcyclohexane?
The IUPAC name of 1-(3-ethyl-5-methylhex-5-en-3-yl)-4-methylcyclohexane (CID 90899580) is 1-(3-ethyl-5-methylhex-5-en-3-yl)-4-methylcyclohexane.
What is the SMILES notation for 1-(3-ethyl-5-methylhex-5-en-3-yl)-4-methylcyclohexane?
The canonical SMILES for 1-(3-ethyl-5-methylhex-5-en-3-yl)-4-methylcyclohexane is C=C(C)CC(CC)(CC)C1CCC(C)CC1.
What is the InChIKey of 1-(3-ethyl-5-methylhex-5-en-3-yl)-4-methylcyclohexane?
The InChIKey is LRFIVYIZNNPPQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30/c1-6-16(7-2,12-13(3)4)15-10-8-14(5)9-11-15/h14-15H,3,6-12H2,1-2,4-5H3.
What are the key properties of 1-(3-ethyl-5-methylhex-5-en-3-yl)-4-methylcyclohexane?
1-(3-ethyl-5-methylhex-5-en-3-yl)-4-methylcyclohexane has a molecular weight of 222.42 g/mol, XLogP of 5.59, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethyl-5-methylhex-5-en-3-yl)-4-methylcyclohexane is sourced from PubChem (CID 90899580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).