1-cyclohexylheptylcyclohexane

C19H36 — CID 16404

IUPAC1-cyclohexylheptylcyclohexane
SMILESCCCCCCC(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C19H36/c1-2-3-4-11-16-19(17-12-7-5-8-13-17)18-14-9-6-10-15-18/h17-19H,2-16H2,1H3
InChIKeyHPTHOHVOEWQDAX-UHFFFAOYSA-N
MW264.50 g/mol
LogP6.73
Rot. Bonds7

About 1-cyclohexylheptylcyclohexane

1-cyclohexylheptylcyclohexane (PubChem CID 16404) has the molecular formula C19H36 and a molecular weight of 264.50 g/mol. Its IUPAC name is 1-cyclohexylheptylcyclohexane.

Molecular Properties

Compound Name1-cyclohexylheptylcyclohexane
PubChem CID16404
Molecular FormulaC19H36
Molecular Weight264.50 g/mol
Exact Mass264.28
IUPAC Name1-cyclohexylheptylcyclohexane
SMILESCCCCCCC(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C19H36/c1-2-3-4-11-16-19(17-12-7-5-8-13-17)18-14-9-6-10-15-18/h17-19H,2-16H2,1H3
InChIKeyHPTHOHVOEWQDAX-UHFFFAOYSA-N
XLogP6.73
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500264.50
LogP ≤ 56.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-cycloheptyldecylcycloheptane
CID 20559033
1-cyclohexyldecylcyclohexane;isocyanic acid
CID 172810256
1-cyclopropylpentylcycloheptane
CID 91177068
1-cyclopropyloctylcyclopropane
CID 141276542
(5-butoxy-1-cyclooctylpentyl)cyclooctane
CID 57036242
hexadecan-8-ylcyclohexane
CID 91510029
undecan-5-ylcyclohexane
CID 524419
4-[1-(4-aminocyclohexyl)decyl]cyclohexan-1-amine
CID 150327650
4-[1-(4-hydroxycyclohexyl)decyl]cyclohexan-1-ol
CID 150695272
1-cyclooctylundecan-1-ol
CID 80603651
1-cycloheptylheptan-1-amine
CID 65399314
6,6-di(cyclododecyl)hexan-1-amine
CID 139722642

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexylheptylcyclohexane?
The IUPAC name of 1-cyclohexylheptylcyclohexane (CID 16404) is 1-cyclohexylheptylcyclohexane.
What is the SMILES notation for 1-cyclohexylheptylcyclohexane?
The canonical SMILES for 1-cyclohexylheptylcyclohexane is CCCCCCC(C1CCCCC1)C1CCCCC1.
What is the InChIKey of 1-cyclohexylheptylcyclohexane?
The InChIKey is HPTHOHVOEWQDAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H36/c1-2-3-4-11-16-19(17-12-7-5-8-13-17)18-14-9-6-10-15-18/h17-19H,2-16H2,1H3.
What are the key properties of 1-cyclohexylheptylcyclohexane?
1-cyclohexylheptylcyclohexane has a molecular weight of 264.50 g/mol, XLogP of 6.73, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexylheptylcyclohexane is sourced from PubChem (CID 16404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).