2,3,3-trimethylnonan-2-ol

C12H26O — CID 149434403

IUPAC2,3,3-trimethylnonan-2-ol
SMILESCCCCCCC(C)(C)C(C)(C)O
InChIInChI=1S/C12H26O/c1-6-7-8-9-10-11(2,3)12(4,5)13/h13H,6-10H2,1-5H3
InChIKeyISUSTNGNSPEPBF-UHFFFAOYSA-N
MW186.34 g/mol
LogP3.75
Rot. Bonds6

About 2,3,3-trimethylnonan-2-ol

2,3,3-trimethylnonan-2-ol (PubChem CID 149434403) has the molecular formula C12H26O and a molecular weight of 186.34 g/mol. Its IUPAC name is 2,3,3-trimethylnonan-2-ol.

Molecular Properties

Compound Name2,3,3-trimethylnonan-2-ol
PubChem CID149434403
Molecular FormulaC12H26O
Molecular Weight186.34 g/mol
Exact Mass186.20
IUPAC Name2,3,3-trimethylnonan-2-ol
SMILESCCCCCCC(C)(C)C(C)(C)O
InChIInChI=1S/C12H26O/c1-6-7-8-9-10-11(2,3)12(4,5)13/h13H,6-10H2,1-5H3
InChIKeyISUSTNGNSPEPBF-UHFFFAOYSA-N
XLogP3.75
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.34
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2,3,3-trimethylnonan-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

3,3-dimethyloctane-2,2-diol
CID 175169414
5,5,6,6-tetramethyltridecane
CID 173349107
2-amino-3,3-dimethyltridecan-2-ol
CID 175034140
2-amino-3,3-dimethylicosan-2-ol
CID 18539595
13-methylheptacosan-13-ol
CID 87343529
2-methyldodecan-2-ol
CID 547702
dodecane-1,1,1-triol
CID 22412604
7-hexylhexadecan-7-ol
CID 141253911
triacontane-1,1,1-triol
CID 87376487
docosane-10,10-diol
CID 20528880
tritriacontane-15,15,16,16-tetrol
CID 19863089
9-octyloctadecan-9-ol
CID 150674168

Frequently Asked Questions

What is the IUPAC name of 2,3,3-trimethylnonan-2-ol?
The IUPAC name of 2,3,3-trimethylnonan-2-ol (CID 149434403) is 2,3,3-trimethylnonan-2-ol.
What is the SMILES notation for 2,3,3-trimethylnonan-2-ol?
The canonical SMILES for 2,3,3-trimethylnonan-2-ol is CCCCCCC(C)(C)C(C)(C)O.
What is the InChIKey of 2,3,3-trimethylnonan-2-ol?
The InChIKey is ISUSTNGNSPEPBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26O/c1-6-7-8-9-10-11(2,3)12(4,5)13/h13H,6-10H2,1-5H3.
What are the key properties of 2,3,3-trimethylnonan-2-ol?
2,3,3-trimethylnonan-2-ol has a molecular weight of 186.34 g/mol, XLogP of 3.75, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,3-trimethylnonan-2-ol is sourced from PubChem (CID 149434403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).