hexylcyclohexane

C12H24 — CID 20283

IUPAChexylcyclohexane
SMILESCCCCCCC1CCCCC1
InChIInChI=1S/C12H24/c1-2-3-4-6-9-12-10-7-5-8-11-12/h12H,2-11H2,1H3
InChIKeyQHWAQXOSHHKCFK-UHFFFAOYSA-N
MW168.32 g/mol
LogP4.54
Rot. Bonds5

About hexylcyclohexane

hexylcyclohexane (PubChem CID 20283) has the molecular formula C12H24 and a molecular weight of 168.32 g/mol. Its IUPAC name is hexylcyclohexane.

Molecular Properties

Compound Namehexylcyclohexane
PubChem CID20283
Molecular FormulaC12H24
Molecular Weight168.32 g/mol
Exact Mass168.19
IUPAC Namehexylcyclohexane
SMILESCCCCCCC1CCCCC1
InChIInChI=1S/C12H24/c1-2-3-4-6-9-12-10-7-5-8-11-12/h12H,2-11H2,1H3
InChIKeyQHWAQXOSHHKCFK-UHFFFAOYSA-N
XLogP4.54
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.32
LogP ≤ 54.54
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
1,3-Dimethylcyclohexane
CID 11564
Ethylcyclohexane
CID 15504
2-Methyloctane
CID 18591
Pentylcyclohexane
CID 20284
2-Methylundecane
CID 23459
Farnesane
CID 19773
4-Methyldecane
CID 17835
3-Methyldecane
CID 92239

Frequently Asked Questions

What is the IUPAC name of hexylcyclohexane?
The IUPAC name of hexylcyclohexane (CID 20283) is hexylcyclohexane.
What is the SMILES notation for hexylcyclohexane?
The canonical SMILES for hexylcyclohexane is CCCCCCC1CCCCC1.
What is the InChIKey of hexylcyclohexane?
The InChIKey is QHWAQXOSHHKCFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24/c1-2-3-4-6-9-12-10-7-5-8-11-12/h12H,2-11H2,1H3.
What are the key properties of hexylcyclohexane?
hexylcyclohexane has a molecular weight of 168.32 g/mol, XLogP of 4.54, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for hexylcyclohexane is sourced from PubChem (CID 20283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).