1-methyl-4-(6-methyloct-7-en-3-yl)cyclohexane

C16H30 — CID 123270008

IUPAC1-methyl-4-(6-methyloct-7-en-3-yl)cyclohexane
SMILESC=CC(C)CCC(CC)C1CCC(C)CC1
InChIInChI=1S/C16H30/c1-5-13(3)7-10-15(6-2)16-11-8-14(4)9-12-16/h5,13-16H,1,6-12H2,2-4H3
InChIKeyJKKIMTDMZGJKTQ-UHFFFAOYSA-N
MW222.42 g/mol
LogP5.44
Rot. Bonds6

About 1-methyl-4-(6-methyloct-7-en-3-yl)cyclohexane

1-methyl-4-(6-methyloct-7-en-3-yl)cyclohexane (PubChem CID 123270008) has the molecular formula C16H30 and a molecular weight of 222.42 g/mol. Its IUPAC name is 1-methyl-4-(6-methyloct-7-en-3-yl)cyclohexane.

Molecular Properties

Compound Name1-methyl-4-(6-methyloct-7-en-3-yl)cyclohexane
PubChem CID123270008
Molecular FormulaC16H30
Molecular Weight222.42 g/mol
Exact Mass222.23
IUPAC Name1-methyl-4-(6-methyloct-7-en-3-yl)cyclohexane
SMILESC=CC(C)CCC(CC)C1CCC(C)CC1
InChIInChI=1S/C16H30/c1-5-13(3)7-10-15(6-2)16-11-8-14(4)9-12-16/h5,13-16H,1,6-12H2,2-4H3
InChIKeyJKKIMTDMZGJKTQ-UHFFFAOYSA-N
XLogP5.44
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500222.42
LogP ≤ 55.44
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

1-hexan-3-yl-4-methylcyclohexane;propane
CID 143181984
formic acid;1-methyl-4-pentan-3-ylcyclohexane
CID 144502603
butane;3,6-dimethylocta-1,7-diene;ethane;propane
CID 144723339
pentan-3-ylcyclopropane
CID 19042038
5-methylhept-6-en-2-ylcyclohexane
CID 145312672
1-butan-2-yl-4-methylcyclohexane
CID 20676481
butane;ethane;methane;1-methyl-4-(6-methyl-5-methylideneheptan-3-yl)cyclohexane
CID 142573663
3-cyclopropylpentan-1-amine
CID 64919361
1-methyl-5-pentan-3-ylcyclooctane
CID 161233743
1-methyl-4-[1-(4-methylcyclohexyl)propyl]cyclohexane
CID 142348869
7-cyclopropyl-4-methylnonan-1-amine
CID 154974947
3,6-dimethylhept-1-ene
CID 18443713

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(6-methyloct-7-en-3-yl)cyclohexane?
The IUPAC name of 1-methyl-4-(6-methyloct-7-en-3-yl)cyclohexane (CID 123270008) is 1-methyl-4-(6-methyloct-7-en-3-yl)cyclohexane.
What is the SMILES notation for 1-methyl-4-(6-methyloct-7-en-3-yl)cyclohexane?
The canonical SMILES for 1-methyl-4-(6-methyloct-7-en-3-yl)cyclohexane is C=CC(C)CCC(CC)C1CCC(C)CC1.
What is the InChIKey of 1-methyl-4-(6-methyloct-7-en-3-yl)cyclohexane?
The InChIKey is JKKIMTDMZGJKTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30/c1-5-13(3)7-10-15(6-2)16-11-8-14(4)9-12-16/h5,13-16H,1,6-12H2,2-4H3.
What are the key properties of 1-methyl-4-(6-methyloct-7-en-3-yl)cyclohexane?
1-methyl-4-(6-methyloct-7-en-3-yl)cyclohexane has a molecular weight of 222.42 g/mol, XLogP of 5.44, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(6-methyloct-7-en-3-yl)cyclohexane is sourced from PubChem (CID 123270008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).