dodecylcyclohexane

C18H36 — CID 15714

IUPACdodecylcyclohexane
SMILESCCCCCCCCCCCCC1CCCCC1
InChIInChI=1S/C18H36/c1-2-3-4-5-6-7-8-9-10-12-15-18-16-13-11-14-17-18/h18H,2-17H2,1H3
InChIKeyBLRBGKYYWDBAQQ-UHFFFAOYSA-N
MW252.49 g/mol
LogP6.88
Rot. Bonds11

About dodecylcyclohexane

dodecylcyclohexane (PubChem CID 15714) has the molecular formula C18H36 and a molecular weight of 252.49 g/mol. Its IUPAC name is dodecylcyclohexane.

Molecular Properties

Compound Namedodecylcyclohexane
PubChem CID15714
Molecular FormulaC18H36
Molecular Weight252.49 g/mol
Exact Mass252.28
IUPAC Namedodecylcyclohexane
SMILESCCCCCCCCCCCCC1CCCCC1
InChIInChI=1S/C18H36/c1-2-3-4-5-6-7-8-9-10-12-15-18-16-13-11-14-17-18/h18H,2-17H2,1H3
InChIKeyBLRBGKYYWDBAQQ-UHFFFAOYSA-N
XLogP6.88
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500252.49
LogP ≤ 56.88
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
Cyclohexane, 1-methyl-3-(1-methylethyl)-
CID 27938

Frequently Asked Questions

What is the IUPAC name of dodecylcyclohexane?
The IUPAC name of dodecylcyclohexane (CID 15714) is dodecylcyclohexane.
What is the SMILES notation for dodecylcyclohexane?
The canonical SMILES for dodecylcyclohexane is CCCCCCCCCCCCC1CCCCC1.
What is the InChIKey of dodecylcyclohexane?
The InChIKey is BLRBGKYYWDBAQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36/c1-2-3-4-5-6-7-8-9-10-12-15-18-16-13-11-14-17-18/h18H,2-17H2,1H3.
What are the key properties of dodecylcyclohexane?
dodecylcyclohexane has a molecular weight of 252.49 g/mol, XLogP of 6.88, 11 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dodecylcyclohexane is sourced from PubChem (CID 15714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).