(2S)-octan-2-ol

C8H18O — CID 2723888

IUPAC(2S)-octan-2-ol
SMILESCCCCCC[C@H](C)O
InChIInChI=1S/C8H18O/c1-3-4-5-6-7-8(2)9/h8-9H,3-7H2,1-2H3/t8-/m0/s1
InChIKeySJWFXCIHNDVPSH-QMMMGPOBSA-N
MW130.23 g/mol
LogP2.34
Rot. Bonds5

About (2S)-octan-2-ol

(2S)-octan-2-ol (PubChem CID 2723888) has the molecular formula C8H18O and a molecular weight of 130.23 g/mol. Its IUPAC name is (2S)-octan-2-ol.

Molecular Properties

Compound Name(2S)-octan-2-ol
PubChem CID2723888
Molecular FormulaC8H18O
Molecular Weight130.23 g/mol
Exact Mass130.14
IUPAC Name(2S)-octan-2-ol
SMILESCCCCCC[C@H](C)O
InChIInChI=1S/C8H18O/c1-3-4-5-6-7-8(2)9/h8-9H,3-7H2,1-2H3/t8-/m0/s1
InChIKeySJWFXCIHNDVPSH-QMMMGPOBSA-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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Frequently Asked Questions

What is the IUPAC name of (2S)-octan-2-ol?
The IUPAC name of (2S)-octan-2-ol (CID 2723888) is (2S)-octan-2-ol.
What is the SMILES notation for (2S)-octan-2-ol?
The canonical SMILES for (2S)-octan-2-ol is CCCCCC[C@H](C)O.
What is the InChIKey of (2S)-octan-2-ol?
The InChIKey is SJWFXCIHNDVPSH-QMMMGPOBSA-N. The full InChI is InChI=1S/C8H18O/c1-3-4-5-6-7-8(2)9/h8-9H,3-7H2,1-2H3/t8-/m0/s1.
What are the key properties of (2S)-octan-2-ol?
(2S)-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 (2S)-octan-2-ol is sourced from PubChem (CID 2723888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).