1-cyclohexyldodecane-1,12-diol

C18H36O2 — CID 11161921

IUPAC1-cyclohexyldodecane-1,12-diol
SMILESOCCCCCCCCCCCC(O)C1CCCCC1
InChIInChI=1S/C18H36O2/c19-16-12-7-5-3-1-2-4-6-11-15-18(20)17-13-9-8-10-14-17/h17-20H,1-16H2
InChIKeyYRHBTXWNSDPEDQ-UHFFFAOYSA-N
MW284.48 g/mol
LogP4.82
Rot. Bonds12

About 1-cyclohexyldodecane-1,12-diol

1-cyclohexyldodecane-1,12-diol (PubChem CID 11161921) has the molecular formula C18H36O2 and a molecular weight of 284.48 g/mol. Its IUPAC name is 1-cyclohexyldodecane-1,12-diol.

Molecular Properties

Compound Name1-cyclohexyldodecane-1,12-diol
PubChem CID11161921
Molecular FormulaC18H36O2
Molecular Weight284.48 g/mol
Exact Mass284.27
IUPAC Name1-cyclohexyldodecane-1,12-diol
SMILESOCCCCCCCCCCCC(O)C1CCCCC1
InChIInChI=1S/C18H36O2/c19-16-12-7-5-3-1-2-4-6-11-15-18(20)17-13-9-8-10-14-17/h17-20H,1-16H2
InChIKeyYRHBTXWNSDPEDQ-UHFFFAOYSA-N
XLogP4.82
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.48
LogP ≤ 54.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyldodecane-1,12-diol?
The IUPAC name of 1-cyclohexyldodecane-1,12-diol (CID 11161921) is 1-cyclohexyldodecane-1,12-diol.
What is the SMILES notation for 1-cyclohexyldodecane-1,12-diol?
The canonical SMILES for 1-cyclohexyldodecane-1,12-diol is OCCCCCCCCCCCC(O)C1CCCCC1.
What is the InChIKey of 1-cyclohexyldodecane-1,12-diol?
The InChIKey is YRHBTXWNSDPEDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36O2/c19-16-12-7-5-3-1-2-4-6-11-15-18(20)17-13-9-8-10-14-17/h17-20H,1-16H2.
What are the key properties of 1-cyclohexyldodecane-1,12-diol?
1-cyclohexyldodecane-1,12-diol has a molecular weight of 284.48 g/mol, XLogP of 4.82, 12 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyldodecane-1,12-diol is sourced from PubChem (CID 11161921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).