1-cycloheptyloctan-2-ol

C15H30O — CID 115783533

IUPAC1-cycloheptyloctan-2-ol
SMILESCCCCCCC(O)CC1CCCCCC1
InChIInChI=1S/C15H30O/c1-2-3-4-9-12-15(16)13-14-10-7-5-6-8-11-14/h14-16H,2-13H2,1H3
InChIKeyHZBUTLRTNDOYPH-UHFFFAOYSA-N
MW226.40 g/mol
LogP4.68
Rot. Bonds7

About 1-cycloheptyloctan-2-ol

1-cycloheptyloctan-2-ol (PubChem CID 115783533) has the molecular formula C15H30O and a molecular weight of 226.40 g/mol. Its IUPAC name is 1-cycloheptyloctan-2-ol.

Molecular Properties

Compound Name1-cycloheptyloctan-2-ol
PubChem CID115783533
Molecular FormulaC15H30O
Molecular Weight226.40 g/mol
Exact Mass226.23
IUPAC Name1-cycloheptyloctan-2-ol
SMILESCCCCCCC(O)CC1CCCCCC1
InChIInChI=1S/C15H30O/c1-2-3-4-9-12-15(16)13-14-10-7-5-6-8-11-14/h14-16H,2-13H2,1H3
InChIKeyHZBUTLRTNDOYPH-UHFFFAOYSA-N
XLogP4.68
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.40
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-cycloheptyloctan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-cyclopentyldecan-3-ol
CID 115783211
1-cycloheptylheptan-2-amine
CID 115837607
1-cyclopentyldecan-2-amine
CID 115835607
1-cyclooctylundecan-1-ol
CID 80603651
2-(cyclohexylmethyl)-4-hydroxyundecanehydrazide
CID 2832774
(2R)-1-cyclohexylbutan-2-ol
CID 59949714
2-cyclopropylheptylcyclohexane
CID 57268487
1-cyclohexyldodecane-1,2-diol
CID 103459050
1-amino-6-cyclohexyl-2-ethyl-2-nonan-3-ylhexane-1,1,5-triol
CID 151315506
1-(1-methylsulfonylpiperidin-3-yl)decan-2-ol
CID 115820309
1-cycloheptyl-5-methylhexan-2-ol
CID 115783773
cyclohexylmethanol;hexane-1,1-diol
CID 67776796

Frequently Asked Questions

What is the IUPAC name of 1-cycloheptyloctan-2-ol?
The IUPAC name of 1-cycloheptyloctan-2-ol (CID 115783533) is 1-cycloheptyloctan-2-ol.
What is the SMILES notation for 1-cycloheptyloctan-2-ol?
The canonical SMILES for 1-cycloheptyloctan-2-ol is CCCCCCC(O)CC1CCCCCC1.
What is the InChIKey of 1-cycloheptyloctan-2-ol?
The InChIKey is HZBUTLRTNDOYPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30O/c1-2-3-4-9-12-15(16)13-14-10-7-5-6-8-11-14/h14-16H,2-13H2,1H3.
What are the key properties of 1-cycloheptyloctan-2-ol?
1-cycloheptyloctan-2-ol has a molecular weight of 226.40 g/mol, XLogP of 4.68, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cycloheptyloctan-2-ol is sourced from PubChem (CID 115783533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).