2-cyclopropylheptylcyclohexane

C16H30 — CID 57268487

IUPAC2-cyclopropylheptylcyclohexane
SMILESCCCCCC(CC1CCCCC1)C1CC1
InChIInChI=1S/C16H30/c1-2-3-5-10-16(15-11-12-15)13-14-8-6-4-7-9-14/h14-16H,2-13H2,1H3
InChIKeyDVQKLOGNDSLMJP-UHFFFAOYSA-N
MW222.42 g/mol
LogP5.56
Rot. Bonds7

About 2-cyclopropylheptylcyclohexane

2-cyclopropylheptylcyclohexane (PubChem CID 57268487) has the molecular formula C16H30 and a molecular weight of 222.42 g/mol. Its IUPAC name is 2-cyclopropylheptylcyclohexane.

Molecular Properties

Compound Name2-cyclopropylheptylcyclohexane
PubChem CID57268487
Molecular FormulaC16H30
Molecular Weight222.42 g/mol
Exact Mass222.23
IUPAC Name2-cyclopropylheptylcyclohexane
SMILESCCCCCC(CC1CCCCC1)C1CC1
InChIInChI=1S/C16H30/c1-2-3-5-10-16(15-11-12-15)13-14-8-6-4-7-9-14/h14-16H,2-13H2,1H3
InChIKeyDVQKLOGNDSLMJP-UHFFFAOYSA-N
XLogP5.56
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500222.42
LogP ≤ 55.56
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

hexadecan-8-ylcyclohexane
CID 91510029
undecan-5-ylcyclohexane
CID 524419
1-cycloheptylheptan-2-amine
CID 115837607
nonan-3-ylcyclopentane
CID 19893531
1-cycloheptyloctan-2-ol
CID 115783533
1-cyclopentyldecan-2-amine
CID 115835607
1-cyclohexyl-N-methylheptan-2-amine
CID 115836969
2-cyclopentyloctan-1-amine
CID 112569591
1-chlorododecan-2-ylcyclopentane
CID 112570395
1-bromodecan-2-ylcyclopentane
CID 112570528
1-cyclohexyl-N-ethylheptan-2-amine
CID 115837188
2-cyclopentyl-N-methyldodecan-1-amine
CID 112569791

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropylheptylcyclohexane?
The IUPAC name of 2-cyclopropylheptylcyclohexane (CID 57268487) is 2-cyclopropylheptylcyclohexane.
What is the SMILES notation for 2-cyclopropylheptylcyclohexane?
The canonical SMILES for 2-cyclopropylheptylcyclohexane is CCCCCC(CC1CCCCC1)C1CC1.
What is the InChIKey of 2-cyclopropylheptylcyclohexane?
The InChIKey is DVQKLOGNDSLMJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30/c1-2-3-5-10-16(15-11-12-15)13-14-8-6-4-7-9-14/h14-16H,2-13H2,1H3.
What are the key properties of 2-cyclopropylheptylcyclohexane?
2-cyclopropylheptylcyclohexane has a molecular weight of 222.42 g/mol, XLogP of 5.56, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropylheptylcyclohexane is sourced from PubChem (CID 57268487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).