2-cyclohexylhexan-2-ol

C12H24O — CID 568244

IUPAC2-cyclohexylhexan-2-ol
SMILESCCCCC(C)(O)C1CCCCC1
InChIInChI=1S/C12H24O/c1-3-4-10-12(2,13)11-8-6-5-7-9-11/h11,13H,3-10H2,1-2H3
InChIKeyADXCWONRKVEJLD-UHFFFAOYSA-N
MW184.32 g/mol
LogP3.51
Rot. Bonds4

About 2-cyclohexylhexan-2-ol

2-cyclohexylhexan-2-ol (PubChem CID 568244) has the molecular formula C12H24O and a molecular weight of 184.32 g/mol. Its IUPAC name is 2-cyclohexylhexan-2-ol.

Molecular Properties

Compound Name2-cyclohexylhexan-2-ol
PubChem CID568244
Molecular FormulaC12H24O
Molecular Weight184.32 g/mol
Exact Mass184.18
IUPAC Name2-cyclohexylhexan-2-ol
SMILESCCCCC(C)(O)C1CCCCC1
InChIInChI=1S/C12H24O/c1-3-4-10-12(2,13)11-8-6-5-7-9-11/h11,13H,3-10H2,1-2H3
InChIKeyADXCWONRKVEJLD-UHFFFAOYSA-N
XLogP3.51
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.32
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexylhexan-2-ol?
The IUPAC name of 2-cyclohexylhexan-2-ol (CID 568244) is 2-cyclohexylhexan-2-ol.
What is the SMILES notation for 2-cyclohexylhexan-2-ol?
The canonical SMILES for 2-cyclohexylhexan-2-ol is CCCCC(C)(O)C1CCCCC1.
What is the InChIKey of 2-cyclohexylhexan-2-ol?
The InChIKey is ADXCWONRKVEJLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O/c1-3-4-10-12(2,13)11-8-6-5-7-9-11/h11,13H,3-10H2,1-2H3.
What are the key properties of 2-cyclohexylhexan-2-ol?
2-cyclohexylhexan-2-ol has a molecular weight of 184.32 g/mol, XLogP of 3.51, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexylhexan-2-ol is sourced from PubChem (CID 568244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).