7-cyclohexylheptan-3-ylcyclohexane

C19H36 — CID 90866446

IUPAC7-cyclohexylheptan-3-ylcyclohexane
SMILESCCC(CCCCC1CCCCC1)C1CCCCC1
InChIInChI=1S/C19H36/c1-2-18(19-15-7-4-8-16-19)14-10-9-13-17-11-5-3-6-12-17/h17-19H,2-16H2,1H3
InChIKeyLTFKBZPMROLDMB-UHFFFAOYSA-N
MW264.50 g/mol
LogP6.73
Rot. Bonds7

About 7-cyclohexylheptan-3-ylcyclohexane

7-cyclohexylheptan-3-ylcyclohexane (PubChem CID 90866446) has the molecular formula C19H36 and a molecular weight of 264.50 g/mol. Its IUPAC name is 7-cyclohexylheptan-3-ylcyclohexane.

Molecular Properties

Compound Name7-cyclohexylheptan-3-ylcyclohexane
PubChem CID90866446
Molecular FormulaC19H36
Molecular Weight264.50 g/mol
Exact Mass264.28
IUPAC Name7-cyclohexylheptan-3-ylcyclohexane
SMILESCCC(CCCCC1CCCCC1)C1CCCCC1
InChIInChI=1S/C19H36/c1-2-18(19-15-7-4-8-16-19)14-10-9-13-17-11-5-3-6-12-17/h17-19H,2-16H2,1H3
InChIKeyLTFKBZPMROLDMB-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-cyclobutylnonan-5-ylcyclobutane
CID 173183497
nonan-3-ylcyclopentane
CID 19893531
hexadecan-8-ylcyclohexane
CID 91510029
4-cyclopentylbutylcyclohexane
CID 144547696
2-cyclopropylheptylcyclohexane
CID 57268487
1-methyl-3-[4-(1-methylpiperidin-4-yl)hexyl]piperidine
CID 91610130
undecan-5-ylcyclohexane
CID 524419
1-(4-cyclohexylbutyl)-4-isothiocyanatocyclohexane;1-(1-cyclohexyldecan-4-yl)-4-isothiocyanatocyclohexane;1-(6-cyclohexylhexan-3-yl)-4-isothiocyanatocyclohexane;1-(1-cyclohexyloctan-4-yl)-4-isothiocyanatocyclohexane;1-(5-cyclohexylpentan-2-yl)-4-isothiocyanatocyclohexane
CID 173389551
13-methyltetradecylcyclopentane
CID 123698808
6-pentadecan-3-ylcycloundecane-1-carboxylic acid
CID 71129172
5-cyclohexylheptan-2-ol
CID 89364025
4-cyclohexyl-2-cyclopentyl-N-ethylbutan-1-amine
CID 114192566

Frequently Asked Questions

What is the IUPAC name of 7-cyclohexylheptan-3-ylcyclohexane?
The IUPAC name of 7-cyclohexylheptan-3-ylcyclohexane (CID 90866446) is 7-cyclohexylheptan-3-ylcyclohexane.
What is the SMILES notation for 7-cyclohexylheptan-3-ylcyclohexane?
The canonical SMILES for 7-cyclohexylheptan-3-ylcyclohexane is CCC(CCCCC1CCCCC1)C1CCCCC1.
What is the InChIKey of 7-cyclohexylheptan-3-ylcyclohexane?
The InChIKey is LTFKBZPMROLDMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H36/c1-2-18(19-15-7-4-8-16-19)14-10-9-13-17-11-5-3-6-12-17/h17-19H,2-16H2,1H3.
What are the key properties of 7-cyclohexylheptan-3-ylcyclohexane?
7-cyclohexylheptan-3-ylcyclohexane 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 7-cyclohexylheptan-3-ylcyclohexane is sourced from PubChem (CID 90866446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).