tetradecylcyclohexane

C20H40 — CID 15715

IUPACtetradecylcyclohexane
SMILESCCCCCCCCCCCCCCC1CCCCC1
InChIInChI=1S/C20H40/c1-2-3-4-5-6-7-8-9-10-11-12-14-17-20-18-15-13-16-19-20/h20H,2-19H2,1H3
InChIKeyNQAVPKIJZCHUNS-UHFFFAOYSA-N
MW280.54 g/mol
LogP7.66
Rot. Bonds13

About tetradecylcyclohexane

tetradecylcyclohexane (PubChem CID 15715) has the molecular formula C20H40 and a molecular weight of 280.54 g/mol. Its IUPAC name is tetradecylcyclohexane.

Molecular Properties

Compound Nametetradecylcyclohexane
PubChem CID15715
Molecular FormulaC20H40
Molecular Weight280.54 g/mol
Exact Mass280.31
IUPAC Nametetradecylcyclohexane
SMILESCCCCCCCCCCCCCCC1CCCCC1
InChIInChI=1S/C20H40/c1-2-3-4-5-6-7-8-9-10-11-12-14-17-20-18-15-13-16-19-20/h20H,2-19H2,1H3
InChIKeyNQAVPKIJZCHUNS-UHFFFAOYSA-N
XLogP7.66
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds13
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500280.54
LogP ≤ 57.66
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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Frequently Asked Questions

What is the IUPAC name of tetradecylcyclohexane?
The IUPAC name of tetradecylcyclohexane (CID 15715) is tetradecylcyclohexane.
What is the SMILES notation for tetradecylcyclohexane?
The canonical SMILES for tetradecylcyclohexane is CCCCCCCCCCCCCCC1CCCCC1.
What is the InChIKey of tetradecylcyclohexane?
The InChIKey is NQAVPKIJZCHUNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H40/c1-2-3-4-5-6-7-8-9-10-11-12-14-17-20-18-15-13-16-19-20/h20H,2-19H2,1H3.
What are the key properties of tetradecylcyclohexane?
tetradecylcyclohexane has a molecular weight of 280.54 g/mol, XLogP of 7.66, 13 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tetradecylcyclohexane is sourced from PubChem (CID 15715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).