octylcyclohexane

C14H28 — CID 15712

IUPACoctylcyclohexane
SMILESCCCCCCCCC1CCCCC1
InChIInChI=1S/C14H28/c1-2-3-4-5-6-8-11-14-12-9-7-10-13-14/h14H,2-13H2,1H3
InChIKeyFBXWCEKQCVOOLT-UHFFFAOYSA-N
MW196.38 g/mol
LogP5.32
Rot. Bonds7

About octylcyclohexane

octylcyclohexane (PubChem CID 15712) has the molecular formula C14H28 and a molecular weight of 196.38 g/mol. Its IUPAC name is octylcyclohexane.

Molecular Properties

Compound Nameoctylcyclohexane
PubChem CID15712
Molecular FormulaC14H28
Molecular Weight196.38 g/mol
Exact Mass196.22
IUPAC Nameoctylcyclohexane
SMILESCCCCCCCCC1CCCCC1
InChIInChI=1S/C14H28/c1-2-3-4-5-6-8-11-14-12-9-7-10-13-14/h14H,2-13H2,1H3
InChIKeyFBXWCEKQCVOOLT-UHFFFAOYSA-N
XLogP5.32
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500196.38
LogP ≤ 55.32
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

Butylcyclohexane
CID 15506
2-Methyldecane
CID 23415
1-Methyl-4-isopropylcyclohexane
CID 7459
Isopropylcyclohexane
CID 12763
Ethylcyclohexane
CID 15504
2-Methyloctane
CID 18591
Pentylcyclohexane
CID 20284
1,3-Dimethylcyclohexane
CID 11564
2-Methylundecane
CID 23459
Farnesane
CID 19773
Propylcyclohexane
CID 15505
2-Methylnonane
CID 13379

Frequently Asked Questions

What is the IUPAC name of octylcyclohexane?
The IUPAC name of octylcyclohexane (CID 15712) is octylcyclohexane.
What is the SMILES notation for octylcyclohexane?
The canonical SMILES for octylcyclohexane is CCCCCCCCC1CCCCC1.
What is the InChIKey of octylcyclohexane?
The InChIKey is FBXWCEKQCVOOLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28/c1-2-3-4-5-6-8-11-14-12-9-7-10-13-14/h14H,2-13H2,1H3.
What are the key properties of octylcyclohexane?
octylcyclohexane has a molecular weight of 196.38 g/mol, XLogP of 5.32, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for octylcyclohexane is sourced from PubChem (CID 15712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).