octan-2-ol

C8H18O — CID 20083

IUPACoctan-2-ol
SMILESCCCCCCC(C)O
InChIInChI=1S/C8H18O/c1-3-4-5-6-7-8(2)9/h8-9H,3-7H2,1-2H3
InChIKeySJWFXCIHNDVPSH-UHFFFAOYSA-N
MW130.23 g/mol
LogP2.34
Rot. Bonds5

About octan-2-ol

octan-2-ol (PubChem CID 20083) has the molecular formula C8H18O and a molecular weight of 130.23 g/mol. Its IUPAC name is octan-2-ol.

Molecular Properties

Compound Nameoctan-2-ol
PubChem CID20083
Molecular FormulaC8H18O
Molecular Weight130.23 g/mol
Exact Mass130.14
IUPAC Nameoctan-2-ol
SMILESCCCCCCC(C)O
InChIInChI=1S/C8H18O/c1-3-4-5-6-7-8(2)9/h8-9H,3-7H2,1-2H3
InChIKeySJWFXCIHNDVPSH-UHFFFAOYSA-N
XLogP2.34
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.23
LogP ≤ 52.34
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

(2S)-octadecan-2-ol
CID 25022019
docosan-2-ol
CID 14151025
heptane;heptan-2-ol
CID 157400640
henicosan-2-ol
CID 14151023
octan-2-ol;vanadium
CID 175998662
azane;tetradecan-2-ol
CID 172733454
(2R)-heptan-2-ol
CID 6992611
sodium;hydride;nonan-2-ol
CID 174316439
sodium;dodecan-2-ol;hydride
CID 174187549
heptan-2-ol;hydroxylamine
CID 88625997
(2S)-heptan-2-ol;hydrochloride
CID 141119609
methanamine;octadecan-2-ol;hydrochloride
CID 173318083

Frequently Asked Questions

What is the IUPAC name of octan-2-ol?
The IUPAC name of octan-2-ol (CID 20083) is octan-2-ol.
What is the SMILES notation for octan-2-ol?
The canonical SMILES for octan-2-ol is CCCCCCC(C)O.
What is the InChIKey of octan-2-ol?
The InChIKey is SJWFXCIHNDVPSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18O/c1-3-4-5-6-7-8(2)9/h8-9H,3-7H2,1-2H3.
What are the key properties of octan-2-ol?
octan-2-ol has a molecular weight of 130.23 g/mol, XLogP of 2.34, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for octan-2-ol is sourced from PubChem (CID 20083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).