2,2-dicyclohexylpropane-1,3-diol

C15H28O2 — CID 23292670

IUPAC2,2-dicyclohexylpropane-1,3-diol
SMILESOCC(CO)(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C15H28O2/c16-11-15(12-17,13-7-3-1-4-8-13)14-9-5-2-6-10-14/h13-14,16-17H,1-12H2
InChIKeyOVOVXMVFDJXHAN-UHFFFAOYSA-N
MW240.39 g/mol
LogP3.12
Rot. Bonds4

About 2,2-dicyclohexylpropane-1,3-diol

2,2-dicyclohexylpropane-1,3-diol (PubChem CID 23292670) has the molecular formula C15H28O2 and a molecular weight of 240.39 g/mol. Its IUPAC name is 2,2-dicyclohexylpropane-1,3-diol.

Molecular Properties

Compound Name2,2-dicyclohexylpropane-1,3-diol
PubChem CID23292670
Molecular FormulaC15H28O2
Molecular Weight240.39 g/mol
Exact Mass240.21
IUPAC Name2,2-dicyclohexylpropane-1,3-diol
SMILESOCC(CO)(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C15H28O2/c16-11-15(12-17,13-7-3-1-4-8-13)14-9-5-2-6-10-14/h13-14,16-17H,1-12H2
InChIKeyOVOVXMVFDJXHAN-UHFFFAOYSA-N
XLogP3.12
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2-dicyclohexylpropane-1,3-diol?
The IUPAC name of 2,2-dicyclohexylpropane-1,3-diol (CID 23292670) is 2,2-dicyclohexylpropane-1,3-diol.
What is the SMILES notation for 2,2-dicyclohexylpropane-1,3-diol?
The canonical SMILES for 2,2-dicyclohexylpropane-1,3-diol is OCC(CO)(C1CCCCC1)C1CCCCC1.
What is the InChIKey of 2,2-dicyclohexylpropane-1,3-diol?
The InChIKey is OVOVXMVFDJXHAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28O2/c16-11-15(12-17,13-7-3-1-4-8-13)14-9-5-2-6-10-14/h13-14,16-17H,1-12H2.
What are the key properties of 2,2-dicyclohexylpropane-1,3-diol?
2,2-dicyclohexylpropane-1,3-diol has a molecular weight of 240.39 g/mol, XLogP of 3.12, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dicyclohexylpropane-1,3-diol is sourced from PubChem (CID 23292670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).