(3S)-2,3-dimethyloctan-3-ol

C10H22O — CID 25021578

IUPAC(3S)-2,3-dimethyloctan-3-ol
SMILESCCCCC[C@](C)(O)C(C)C
InChIInChI=1S/C10H22O/c1-5-6-7-8-10(4,11)9(2)3/h9,11H,5-8H2,1-4H3/t10-/m0/s1
InChIKeyAWHYRPPRRQITHX-JTQLQIEISA-N
MW158.28 g/mol
LogP2.97
Rot. Bonds5

About (3S)-2,3-dimethyloctan-3-ol

(3S)-2,3-dimethyloctan-3-ol (PubChem CID 25021578) has the molecular formula C10H22O and a molecular weight of 158.28 g/mol. Its IUPAC name is (3S)-2,3-dimethyloctan-3-ol.

Molecular Properties

Compound Name(3S)-2,3-dimethyloctan-3-ol
PubChem CID25021578
Molecular FormulaC10H22O
Molecular Weight158.28 g/mol
Exact Mass158.17
IUPAC Name(3S)-2,3-dimethyloctan-3-ol
SMILESCCCCC[C@](C)(O)C(C)C
InChIInChI=1S/C10H22O/c1-5-6-7-8-10(4,11)9(2)3/h9,11H,5-8H2,1-4H3/t10-/m0/s1
InChIKeyAWHYRPPRRQITHX-JTQLQIEISA-N
XLogP2.97
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.28
LogP ≤ 52.97
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

2,3-dimethyltridecan-3-ol
CID 14591139
1,1-dimethoxy-2-methylheptan-2-ol
CID 66038845
6-methyl-6-propan-2-ylundecane
CID 87930599
2,3,3-trimethyloctadecane
CID 90966938
2,3-dimethyl-3-propan-2-yldodecane
CID 150435624
ethane;2,3,3-trimethyloctane
CID 142049944
(2S)-2-amino-3-methyloctadecane-1,3-diol
CID 11370484
3-ethyl-2-methylnonan-3-ol
CID 65146597
2,4-dimethylnonan-4-ol
CID 3018500
13-methylheptacosan-13-ol
CID 87343529
2-methyldodecan-2-ol
CID 547702
14,14-didodecyl-13-propan-2-ylhexacosan-13-ol
CID 23373241

Frequently Asked Questions

What is the IUPAC name of (3S)-2,3-dimethyloctan-3-ol?
The IUPAC name of (3S)-2,3-dimethyloctan-3-ol (CID 25021578) is (3S)-2,3-dimethyloctan-3-ol.
What is the SMILES notation for (3S)-2,3-dimethyloctan-3-ol?
The canonical SMILES for (3S)-2,3-dimethyloctan-3-ol is CCCCC[C@](C)(O)C(C)C.
What is the InChIKey of (3S)-2,3-dimethyloctan-3-ol?
The InChIKey is AWHYRPPRRQITHX-JTQLQIEISA-N. The full InChI is InChI=1S/C10H22O/c1-5-6-7-8-10(4,11)9(2)3/h9,11H,5-8H2,1-4H3/t10-/m0/s1.
What are the key properties of (3S)-2,3-dimethyloctan-3-ol?
(3S)-2,3-dimethyloctan-3-ol has a molecular weight of 158.28 g/mol, XLogP of 2.97, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-2,3-dimethyloctan-3-ol is sourced from PubChem (CID 25021578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).