5-ethyl-2-methylheptane-2,3-diol

C10H22O2 — CID 103449113

IUPAC5-ethyl-2-methylheptane-2,3-diol
SMILESCCC(CC)CC(O)C(C)(C)O
InChIInChI=1S/C10H22O2/c1-5-8(6-2)7-9(11)10(3,4)12/h8-9,11-12H,5-7H2,1-4H3
InChIKeyHWCGRZIQIMSDDL-UHFFFAOYSA-N
MW174.28 g/mol
LogP1.94
Rot. Bonds5

About 5-ethyl-2-methylheptane-2,3-diol

5-ethyl-2-methylheptane-2,3-diol (PubChem CID 103449113) has the molecular formula C10H22O2 and a molecular weight of 174.28 g/mol. Its IUPAC name is 5-ethyl-2-methylheptane-2,3-diol.

Molecular Properties

Compound Name5-ethyl-2-methylheptane-2,3-diol
PubChem CID103449113
Molecular FormulaC10H22O2
Molecular Weight174.28 g/mol
Exact Mass174.16
IUPAC Name5-ethyl-2-methylheptane-2,3-diol
SMILESCCC(CC)CC(O)C(C)(C)O
InChIInChI=1S/C10H22O2/c1-5-8(6-2)7-9(11)10(3,4)12/h8-9,11-12H,5-7H2,1-4H3
InChIKeyHWCGRZIQIMSDDL-UHFFFAOYSA-N
XLogP1.94
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.28
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 5-ethyl-2-methylheptane-2,3-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

6-ethyl-3-methoxy-3-methyloctan-4-ol
CID 116752010
7-ethyl-3-methylnonane-3,5-diol
CID 87744147
5,11-diethyl-8,8-dimethylpentadecane-7,9-diol
CID 140569222
6-methylheptane-1,3,5,6-tetrol
CID 91355197
6-ethyl-3,3-dimethyldecan-4-ol
CID 114981382
2-tert-butyl-4-ethylhexan-1-ol
CID 83138280
(3R,6R,7R,10R,11R,14R,15R,18R,19R,22R)-2,6,10,15,19,23-hexamethyltetracosane-2,3,6,7,10,11,14,15,18,19,22,23-dodecol
CID 134974140
2-methyldodecane-2,3-diol
CID 90439854
2-methylheptadecane-2,3-diol
CID 90439823
(3S)-2-methylheptane-2,3,6-triol
CID 102349407
2-methylpropane-1,1,2-triol
CID 22500679
(5S)-2,2,5-trimethylheptan-3-ol
CID 91117012

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-2-methylheptane-2,3-diol?
The IUPAC name of 5-ethyl-2-methylheptane-2,3-diol (CID 103449113) is 5-ethyl-2-methylheptane-2,3-diol.
What is the SMILES notation for 5-ethyl-2-methylheptane-2,3-diol?
The canonical SMILES for 5-ethyl-2-methylheptane-2,3-diol is CCC(CC)CC(O)C(C)(C)O.
What is the InChIKey of 5-ethyl-2-methylheptane-2,3-diol?
The InChIKey is HWCGRZIQIMSDDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22O2/c1-5-8(6-2)7-9(11)10(3,4)12/h8-9,11-12H,5-7H2,1-4H3.
What are the key properties of 5-ethyl-2-methylheptane-2,3-diol?
5-ethyl-2-methylheptane-2,3-diol has a molecular weight of 174.28 g/mol, XLogP of 1.94, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-2-methylheptane-2,3-diol is sourced from PubChem (CID 103449113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).