5-ethyl-3-methylnonane-3,4-diol

C12H26O2 — CID 87743678

IUPAC5-ethyl-3-methylnonane-3,4-diol
SMILESCCCCC(CC)C(O)C(C)(O)CC
InChIInChI=1S/C12H26O2/c1-5-8-9-10(6-2)11(13)12(4,14)7-3/h10-11,13-14H,5-9H2,1-4H3
InChIKeyXNUCLYHNJXESQI-UHFFFAOYSA-N
MW202.34 g/mol
LogP2.72
Rot. Bonds7

About 5-ethyl-3-methylnonane-3,4-diol

5-ethyl-3-methylnonane-3,4-diol (PubChem CID 87743678) has the molecular formula C12H26O2 and a molecular weight of 202.34 g/mol. Its IUPAC name is 5-ethyl-3-methylnonane-3,4-diol.

Molecular Properties

Compound Name5-ethyl-3-methylnonane-3,4-diol
PubChem CID87743678
Molecular FormulaC12H26O2
Molecular Weight202.34 g/mol
Exact Mass202.19
IUPAC Name5-ethyl-3-methylnonane-3,4-diol
SMILESCCCCC(CC)C(O)C(C)(O)CC
InChIInChI=1S/C12H26O2/c1-5-8-9-10(6-2)11(13)12(4,14)7-3/h10-11,13-14H,5-9H2,1-4H3
InChIKeyXNUCLYHNJXESQI-UHFFFAOYSA-N
XLogP2.72
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.34
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 5-ethyl-3-methylnonane-3,4-diol 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

5,7-diethylundecan-6-ol
CID 89253066
3,4-dimethylnonane-3,5-diol
CID 57165420
3-methyldodecane-3,4-diol
CID 103448703
5-ethyl-3,3,4-trimethylnonane
CID 57492068
4,5-diethylnonane
CID 21188862
2-ethylheptane-1,1-diol
CID 54525502
4-ethyloctane-1,3-diol
CID 57022453
3-(dibromomethyl)heptane
CID 87164380
5,6-diethyldodecane
CID 90761715
4-ethylnonan-3-ol
CID 135150430
2-ethyltetradecane-1,1-diol
CID 123855382
3-ethyl-2-heptan-3-ylheptan-1-ol
CID 170847817

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-3-methylnonane-3,4-diol?
The IUPAC name of 5-ethyl-3-methylnonane-3,4-diol (CID 87743678) is 5-ethyl-3-methylnonane-3,4-diol.
What is the SMILES notation for 5-ethyl-3-methylnonane-3,4-diol?
The canonical SMILES for 5-ethyl-3-methylnonane-3,4-diol is CCCCC(CC)C(O)C(C)(O)CC.
What is the InChIKey of 5-ethyl-3-methylnonane-3,4-diol?
The InChIKey is XNUCLYHNJXESQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26O2/c1-5-8-9-10(6-2)11(13)12(4,14)7-3/h10-11,13-14H,5-9H2,1-4H3.
What are the key properties of 5-ethyl-3-methylnonane-3,4-diol?
5-ethyl-3-methylnonane-3,4-diol has a molecular weight of 202.34 g/mol, XLogP of 2.72, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-3-methylnonane-3,4-diol is sourced from PubChem (CID 87743678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).