(2S)-4,4,5-trimethylhexan-2-ol

C9H20O — CID 164734993

IUPAC(2S)-4,4,5-trimethylhexan-2-ol
SMILESCC(C)C(C)(C)C[C@H](C)O
InChIInChI=1S/C9H20O/c1-7(2)9(4,5)6-8(3)10/h7-8,10H,6H2,1-5H3/t8-/m0/s1
InChIKeyUYKSWVGEUDVEHP-QMMMGPOBSA-N
MW144.26 g/mol
LogP2.44
Rot. Bonds3

About (2S)-4,4,5-trimethylhexan-2-ol

(2S)-4,4,5-trimethylhexan-2-ol (PubChem CID 164734993) has the molecular formula C9H20O and a molecular weight of 144.26 g/mol. Its IUPAC name is (2S)-4,4,5-trimethylhexan-2-ol.

Molecular Properties

Compound Name(2S)-4,4,5-trimethylhexan-2-ol
PubChem CID164734993
Molecular FormulaC9H20O
Molecular Weight144.26 g/mol
Exact Mass144.15
IUPAC Name(2S)-4,4,5-trimethylhexan-2-ol
SMILESCC(C)C(C)(C)C[C@H](C)O
InChIInChI=1S/C9H20O/c1-7(2)9(4,5)6-8(3)10/h7-8,10H,6H2,1-5H3/t8-/m0/s1
InChIKeyUYKSWVGEUDVEHP-QMMMGPOBSA-N
XLogP2.44
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.26
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze (2S)-4,4,5-trimethylhexan-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

(2S,5S)-5-amino-4,4-dimethylhexan-2-ol
CID 97033653
(2R)-4,4-dimethylpentan-2-ol
CID 7014873
4-methylheptane-2,4,6-triol
CID 90439710
2-methylpentane-2,4-diol
CID 7870
4,4,5,6-tetramethyloctan-2-ol
CID 156689477
6-methoxy-4,4,5-trimethylhexan-2-ol
CID 64715140
5-amino-4,4-dimethylheptan-2-ol;ethane
CID 170613852
2-(2,2,3-trimethylbutyl)propanedioic acid
CID 174849631
(2S)-4-hydroxy-2-methyl-2-propan-2-ylpentanenitrile
CID 130978536
2,3,3,5,7-pentamethyloctane
CID 57491096
2-methanidylpentane-2,4-diol;zirconium
CID 87932896
4,5-dimethyl-4,5-bis(sulfanyl)hexan-2-ol
CID 175208274

Frequently Asked Questions

What is the IUPAC name of (2S)-4,4,5-trimethylhexan-2-ol?
The IUPAC name of (2S)-4,4,5-trimethylhexan-2-ol (CID 164734993) is (2S)-4,4,5-trimethylhexan-2-ol.
What is the SMILES notation for (2S)-4,4,5-trimethylhexan-2-ol?
The canonical SMILES for (2S)-4,4,5-trimethylhexan-2-ol is CC(C)C(C)(C)C[C@H](C)O.
What is the InChIKey of (2S)-4,4,5-trimethylhexan-2-ol?
The InChIKey is UYKSWVGEUDVEHP-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H20O/c1-7(2)9(4,5)6-8(3)10/h7-8,10H,6H2,1-5H3/t8-/m0/s1.
What are the key properties of (2S)-4,4,5-trimethylhexan-2-ol?
(2S)-4,4,5-trimethylhexan-2-ol has a molecular weight of 144.26 g/mol, XLogP of 2.44, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4,4,5-trimethylhexan-2-ol is sourced from PubChem (CID 164734993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).