heptylcyclohexane

C13H26 — CID 21832

IUPACheptylcyclohexane
SMILESCCCCCCCC1CCCCC1
InChIInChI=1S/C13H26/c1-2-3-4-5-7-10-13-11-8-6-9-12-13/h13H,2-12H2,1H3
InChIKeyMSTLSCNJAHAQNU-UHFFFAOYSA-N
MW182.35 g/mol
LogP4.93
Rot. Bonds6

About heptylcyclohexane

heptylcyclohexane (PubChem CID 21832) has the molecular formula C13H26 and a molecular weight of 182.35 g/mol. Its IUPAC name is heptylcyclohexane.

Molecular Properties

Compound Nameheptylcyclohexane
PubChem CID21832
Molecular FormulaC13H26
Molecular Weight182.35 g/mol
Exact Mass182.20
IUPAC Nameheptylcyclohexane
SMILESCCCCCCCC1CCCCC1
InChIInChI=1S/C13H26/c1-2-3-4-5-7-10-13-11-8-6-9-12-13/h13H,2-12H2,1H3
InChIKeyMSTLSCNJAHAQNU-UHFFFAOYSA-N
XLogP4.93
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.35
LogP ≤ 54.93
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 heptylcyclohexane?
The IUPAC name of heptylcyclohexane (CID 21832) is heptylcyclohexane.
What is the SMILES notation for heptylcyclohexane?
The canonical SMILES for heptylcyclohexane is CCCCCCCC1CCCCC1.
What is the InChIKey of heptylcyclohexane?
The InChIKey is MSTLSCNJAHAQNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26/c1-2-3-4-5-7-10-13-11-8-6-9-12-13/h13H,2-12H2,1H3.
What are the key properties of heptylcyclohexane?
heptylcyclohexane has a molecular weight of 182.35 g/mol, XLogP of 4.93, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for heptylcyclohexane is sourced from PubChem (CID 21832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).