1-cyclohexylpentane-1,4-diol

C11H22O2 — CID 11446772

IUPAC1-cyclohexylpentane-1,4-diol
SMILESCC(O)CCC(O)C1CCCCC1
InChIInChI=1S/C11H22O2/c1-9(12)7-8-11(13)10-5-3-2-4-6-10/h9-13H,2-8H2,1H3
InChIKeyINMHCVWJVNLXCB-UHFFFAOYSA-N
MW186.29 g/mol
LogP2.09
Rot. Bonds4

About 1-cyclohexylpentane-1,4-diol

1-cyclohexylpentane-1,4-diol (PubChem CID 11446772) has the molecular formula C11H22O2 and a molecular weight of 186.29 g/mol. Its IUPAC name is 1-cyclohexylpentane-1,4-diol.

Molecular Properties

Compound Name1-cyclohexylpentane-1,4-diol
PubChem CID11446772
Molecular FormulaC11H22O2
Molecular Weight186.29 g/mol
Exact Mass186.16
IUPAC Name1-cyclohexylpentane-1,4-diol
SMILESCC(O)CCC(O)C1CCCCC1
InChIInChI=1S/C11H22O2/c1-9(12)7-8-11(13)10-5-3-2-4-6-10/h9-13H,2-8H2,1H3
InChIKeyINMHCVWJVNLXCB-UHFFFAOYSA-N
XLogP2.09
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.29
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexylpentane-1,4-diol?
The IUPAC name of 1-cyclohexylpentane-1,4-diol (CID 11446772) is 1-cyclohexylpentane-1,4-diol.
What is the SMILES notation for 1-cyclohexylpentane-1,4-diol?
The canonical SMILES for 1-cyclohexylpentane-1,4-diol is CC(O)CCC(O)C1CCCCC1.
What is the InChIKey of 1-cyclohexylpentane-1,4-diol?
The InChIKey is INMHCVWJVNLXCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O2/c1-9(12)7-8-11(13)10-5-3-2-4-6-10/h9-13H,2-8H2,1H3.
What are the key properties of 1-cyclohexylpentane-1,4-diol?
1-cyclohexylpentane-1,4-diol has a molecular weight of 186.29 g/mol, XLogP of 2.09, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexylpentane-1,4-diol is sourced from PubChem (CID 11446772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).