1-cyclohexylheptane-1,7-diol

C13H26O2 — CID 67923944

IUPAC1-cyclohexylheptane-1,7-diol
SMILESOCCCCCCC(O)C1CCCCC1
InChIInChI=1S/C13H26O2/c14-11-7-2-1-6-10-13(15)12-8-4-3-5-9-12/h12-15H,1-11H2
InChIKeyXCIKEOSBNZYISN-UHFFFAOYSA-N
MW214.35 g/mol
LogP2.87
Rot. Bonds7

About 1-cyclohexylheptane-1,7-diol

1-cyclohexylheptane-1,7-diol (PubChem CID 67923944) has the molecular formula C13H26O2 and a molecular weight of 214.35 g/mol. Its IUPAC name is 1-cyclohexylheptane-1,7-diol.

Molecular Properties

Compound Name1-cyclohexylheptane-1,7-diol
PubChem CID67923944
Molecular FormulaC13H26O2
Molecular Weight214.35 g/mol
Exact Mass214.19
IUPAC Name1-cyclohexylheptane-1,7-diol
SMILESOCCCCCCC(O)C1CCCCC1
InChIInChI=1S/C13H26O2/c14-11-7-2-1-6-10-13(15)12-8-4-3-5-9-12/h12-15H,1-11H2
InChIKeyXCIKEOSBNZYISN-UHFFFAOYSA-N
XLogP2.87
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.35
LogP ≤ 52.87
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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Related Compounds

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CID 65399153
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CID 10909821
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CID 63461268
1-cyclopropyltridecan-1-ol
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1-cyclohexylpentane-1,4-diol
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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexylheptane-1,7-diol?
The IUPAC name of 1-cyclohexylheptane-1,7-diol (CID 67923944) is 1-cyclohexylheptane-1,7-diol.
What is the SMILES notation for 1-cyclohexylheptane-1,7-diol?
The canonical SMILES for 1-cyclohexylheptane-1,7-diol is OCCCCCCC(O)C1CCCCC1.
What is the InChIKey of 1-cyclohexylheptane-1,7-diol?
The InChIKey is XCIKEOSBNZYISN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26O2/c14-11-7-2-1-6-10-13(15)12-8-4-3-5-9-12/h12-15H,1-11H2.
What are the key properties of 1-cyclohexylheptane-1,7-diol?
1-cyclohexylheptane-1,7-diol has a molecular weight of 214.35 g/mol, XLogP of 2.87, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexylheptane-1,7-diol is sourced from PubChem (CID 67923944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).