2,3-diethyl-4-methylpentane-1,5-diol

C10H22O2 — CID 18956830

IUPAC2,3-diethyl-4-methylpentane-1,5-diol
SMILESCCC(CO)C(CC)C(C)CO
InChIInChI=1S/C10H22O2/c1-4-9(7-12)10(5-2)8(3)6-11/h8-12H,4-7H2,1-3H3
InChIKeyQWLIPWTWNKOORO-UHFFFAOYSA-N
MW174.28 g/mol
LogP1.66
Rot. Bonds6

About 2,3-diethyl-4-methylpentane-1,5-diol

2,3-diethyl-4-methylpentane-1,5-diol (PubChem CID 18956830) has the molecular formula C10H22O2 and a molecular weight of 174.28 g/mol. Its IUPAC name is 2,3-diethyl-4-methylpentane-1,5-diol.

Molecular Properties

Compound Name2,3-diethyl-4-methylpentane-1,5-diol
PubChem CID18956830
Molecular FormulaC10H22O2
Molecular Weight174.28 g/mol
Exact Mass174.16
IUPAC Name2,3-diethyl-4-methylpentane-1,5-diol
SMILESCCC(CO)C(CC)C(C)CO
InChIInChI=1S/C10H22O2/c1-4-9(7-12)10(5-2)8(3)6-11/h8-12H,4-7H2,1-3H3
InChIKeyQWLIPWTWNKOORO-UHFFFAOYSA-N
XLogP1.66
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.28
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2,4-diethyl-6-(methoxymethyl)-3,5-dimethyloctan-1-ol
CID 170068950
(2S,3S)-2-ethylbutane-1,3-diol
CID 87152899
(2R,3R)-2-ethylbutane-1,3-diol
CID 130733536
2-ethyl-3-methylhexane-1,5-diol
CID 137353593
2-ethyl-4-propan-2-ylpentane-1,3,5-triol
CID 118683289
2-pentan-2-ylpropane-1,3-diol;2-pentan-3-ylpropane-1,3-diol
CID 174400202
4,5,7-triethyl-3-methyl-6-propyldecane
CID 91308748
(2S,3R)-2-ethyl-4-methyl-3-sulfanylpentan-1-ol
CID 124931968
(4R)-3-ethyl-4-methylhexane
CID 59954491
2-ethyl-3-(2-hydroxyethyl)pentane-1,5-diol
CID 90222237
(2S,3R)-2,4-dimethylhexane-1,3-diol
CID 130918298
(2S,3R,4S)-2,4-dimethylhexane-1,3-diol
CID 10931577

Frequently Asked Questions

What is the IUPAC name of 2,3-diethyl-4-methylpentane-1,5-diol?
The IUPAC name of 2,3-diethyl-4-methylpentane-1,5-diol (CID 18956830) is 2,3-diethyl-4-methylpentane-1,5-diol.
What is the SMILES notation for 2,3-diethyl-4-methylpentane-1,5-diol?
The canonical SMILES for 2,3-diethyl-4-methylpentane-1,5-diol is CCC(CO)C(CC)C(C)CO.
What is the InChIKey of 2,3-diethyl-4-methylpentane-1,5-diol?
The InChIKey is QWLIPWTWNKOORO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22O2/c1-4-9(7-12)10(5-2)8(3)6-11/h8-12H,4-7H2,1-3H3.
What are the key properties of 2,3-diethyl-4-methylpentane-1,5-diol?
2,3-diethyl-4-methylpentane-1,5-diol has a molecular weight of 174.28 g/mol, XLogP of 1.66, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-diethyl-4-methylpentane-1,5-diol is sourced from PubChem (CID 18956830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).