tridecylcyclohexane

C19H38 — CID 22327

IUPACtridecylcyclohexane
SMILESCCCCCCCCCCCCCC1CCCCC1
InChIInChI=1S/C19H38/c1-2-3-4-5-6-7-8-9-10-11-13-16-19-17-14-12-15-18-19/h19H,2-18H2,1H3
InChIKeyDKRUJKKWJGNYQN-UHFFFAOYSA-N
MW266.51 g/mol
LogP7.27
Rot. Bonds12

About tridecylcyclohexane

tridecylcyclohexane (PubChem CID 22327) has the molecular formula C19H38 and a molecular weight of 266.51 g/mol. Its IUPAC name is tridecylcyclohexane.

Molecular Properties

Compound Nametridecylcyclohexane
PubChem CID22327
Molecular FormulaC19H38
Molecular Weight266.51 g/mol
Exact Mass266.30
IUPAC Nametridecylcyclohexane
SMILESCCCCCCCCCCCCCC1CCCCC1
InChIInChI=1S/C19H38/c1-2-3-4-5-6-7-8-9-10-11-13-16-19-17-14-12-15-18-19/h19H,2-18H2,1H3
InChIKeyDKRUJKKWJGNYQN-UHFFFAOYSA-N
XLogP7.27
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds12
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500266.51
LogP ≤ 57.27
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

Pristane
CID 15979
Butylcyclohexane
CID 15506
1-Methyl-4-isopropylcyclohexane
CID 7459
Squalane
CID 8089
Isopropylcyclohexane
CID 12763
Ethylcyclohexane
CID 15504
Phytane
CID 12523
Pentylcyclohexane
CID 20284
Farnesane
CID 19773
Propylcyclohexane
CID 15505
sec-Butylcyclohexane
CID 23468
Octylcyclohexane
CID 15712

Frequently Asked Questions

What is the IUPAC name of tridecylcyclohexane?
The IUPAC name of tridecylcyclohexane (CID 22327) is tridecylcyclohexane.
What is the SMILES notation for tridecylcyclohexane?
The canonical SMILES for tridecylcyclohexane is CCCCCCCCCCCCCC1CCCCC1.
What is the InChIKey of tridecylcyclohexane?
The InChIKey is DKRUJKKWJGNYQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H38/c1-2-3-4-5-6-7-8-9-10-11-13-16-19-17-14-12-15-18-19/h19H,2-18H2,1H3.
What are the key properties of tridecylcyclohexane?
tridecylcyclohexane has a molecular weight of 266.51 g/mol, XLogP of 7.27, 12 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tridecylcyclohexane is sourced from PubChem (CID 22327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).