3-ethoxy-4-methylpentane-1,2-diol

C8H18O3 — CID 23384895

IUPAC3-ethoxy-4-methylpentane-1,2-diol
SMILESCCOC(C(C)C)C(O)CO
InChIInChI=1S/C8H18O3/c1-4-11-8(6(2)3)7(10)5-9/h6-10H,4-5H2,1-3H3
InChIKeyPFWLFUYDQJFLNJ-UHFFFAOYSA-N
MW162.23 g/mol
LogP0.40
Rot. Bonds5

About 3-ethoxy-4-methylpentane-1,2-diol

3-ethoxy-4-methylpentane-1,2-diol (PubChem CID 23384895) has the molecular formula C8H18O3 and a molecular weight of 162.23 g/mol. Its IUPAC name is 3-ethoxy-4-methylpentane-1,2-diol.

Molecular Properties

Compound Name3-ethoxy-4-methylpentane-1,2-diol
PubChem CID23384895
Molecular FormulaC8H18O3
Molecular Weight162.23 g/mol
Exact Mass162.13
IUPAC Name3-ethoxy-4-methylpentane-1,2-diol
SMILESCCOC(C(C)C)C(O)CO
InChIInChI=1S/C8H18O3/c1-4-11-8(6(2)3)7(10)5-9/h6-10H,4-5H2,1-3H3
InChIKeyPFWLFUYDQJFLNJ-UHFFFAOYSA-N
XLogP0.40
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.23
LogP ≤ 50.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3R,4R)-4-ethoxy-5-methylhexan-3-ol
CID 59039577
(2S)-4-methyl-3-prop-2-enoxypentane-1,2-diol
CID 59911129
3-ethoxy-6-ethyl-2-methyloctan-4-ol
CID 116712298
(1R,2S)-1-ethoxybutane-1,2,3,4-tetrol
CID 89316162
3-methylbutane-1,2-diol;propane
CID 87383548
1-(2,6-dimethylphenyl)-3-ethoxy-4-methylpentan-2-ol
CID 116712154
(2S)-3-ethoxy-3-(2-hydroxyethoxy)propane-1,2-diol
CID 89386326
(3R,4S,5R)-1-ethoxy-1,3,4,5,6-pentahydroxyhexan-2-one
CID 141107730
1,1-diethoxyethane;methane;propane-1,2,3-triol
CID 90107522
CID 159597367
CID 159597367
2-ethoxy-3-methyl-1-naphthalen-2-ylbutan-1-ol
CID 116712227
1,1,2,3-tetraethoxybutane
CID 121007003

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-4-methylpentane-1,2-diol?
The IUPAC name of 3-ethoxy-4-methylpentane-1,2-diol (CID 23384895) is 3-ethoxy-4-methylpentane-1,2-diol.
What is the SMILES notation for 3-ethoxy-4-methylpentane-1,2-diol?
The canonical SMILES for 3-ethoxy-4-methylpentane-1,2-diol is CCOC(C(C)C)C(O)CO.
What is the InChIKey of 3-ethoxy-4-methylpentane-1,2-diol?
The InChIKey is PFWLFUYDQJFLNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18O3/c1-4-11-8(6(2)3)7(10)5-9/h6-10H,4-5H2,1-3H3.
What are the key properties of 3-ethoxy-4-methylpentane-1,2-diol?
3-ethoxy-4-methylpentane-1,2-diol has a molecular weight of 162.23 g/mol, XLogP of 0.40, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-4-methylpentane-1,2-diol is sourced from PubChem (CID 23384895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).