1-octan-2-ylcyclohexan-1-ol

C14H28O — CID 12721355

IUPAC1-octan-2-ylcyclohexan-1-ol
SMILESCCCCCCC(C)C1(O)CCCCC1
InChIInChI=1S/C14H28O/c1-3-4-5-7-10-13(2)14(15)11-8-6-9-12-14/h13,15H,3-12H2,1-2H3
InChIKeyJCEDKUXLTWCQOC-UHFFFAOYSA-N
MW212.38 g/mol
LogP4.29
Rot. Bonds6

About 1-octan-2-ylcyclohexan-1-ol

1-octan-2-ylcyclohexan-1-ol (PubChem CID 12721355) has the molecular formula C14H28O and a molecular weight of 212.38 g/mol. Its IUPAC name is 1-octan-2-ylcyclohexan-1-ol.

Molecular Properties

Compound Name1-octan-2-ylcyclohexan-1-ol
PubChem CID12721355
Molecular FormulaC14H28O
Molecular Weight212.38 g/mol
Exact Mass212.21
IUPAC Name1-octan-2-ylcyclohexan-1-ol
SMILESCCCCCCC(C)C1(O)CCCCC1
InChIInChI=1S/C14H28O/c1-3-4-5-7-10-13(2)14(15)11-8-6-9-12-14/h13,15H,3-12H2,1-2H3
InChIKeyJCEDKUXLTWCQOC-UHFFFAOYSA-N
XLogP4.29
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.38
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

Terpin
CID 6651
Tetrahydrolinalool
CID 6548
p-MENTHAN-8-OL
CID 10353
p-Menthan-1-ol
CID 89437
2,4-Dimethyl-4-nonanol
CID 3018500
3,6-Dimethyl-3-octanol
CID 9027
Tetrahydromyrcenol
CID 86751
2-Octanol, 2-methyl-
CID 69406
3-Methyl-3-octanol
CID 21432
p-Menthan-4-ol
CID 574674
1-Ethylcyclohexanol
CID 16021
2-Nonanol, 2-methyl-
CID 25139

Frequently Asked Questions

What is the IUPAC name of 1-octan-2-ylcyclohexan-1-ol?
The IUPAC name of 1-octan-2-ylcyclohexan-1-ol (CID 12721355) is 1-octan-2-ylcyclohexan-1-ol.
What is the SMILES notation for 1-octan-2-ylcyclohexan-1-ol?
The canonical SMILES for 1-octan-2-ylcyclohexan-1-ol is CCCCCCC(C)C1(O)CCCCC1.
What is the InChIKey of 1-octan-2-ylcyclohexan-1-ol?
The InChIKey is JCEDKUXLTWCQOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28O/c1-3-4-5-7-10-13(2)14(15)11-8-6-9-12-14/h13,15H,3-12H2,1-2H3.
What are the key properties of 1-octan-2-ylcyclohexan-1-ol?
1-octan-2-ylcyclohexan-1-ol has a molecular weight of 212.38 g/mol, XLogP of 4.29, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-octan-2-ylcyclohexan-1-ol is sourced from PubChem (CID 12721355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).