2,2-diethylhexane-1,3-diol

C10H22O2 — CID 19373836

IUPAC2,2-diethylhexane-1,3-diol
SMILESCCCC(O)C(CC)(CC)CO
InChIInChI=1S/C10H22O2/c1-4-7-9(12)10(5-2,6-3)8-11/h9,11-12H,4-8H2,1-3H3
InChIKeyFESYJZRHABPKHI-UHFFFAOYSA-N
MW174.28 g/mol
LogP1.95
Rot. Bonds6

About 2,2-diethylhexane-1,3-diol

2,2-diethylhexane-1,3-diol (PubChem CID 19373836) has the molecular formula C10H22O2 and a molecular weight of 174.28 g/mol. Its IUPAC name is 2,2-diethylhexane-1,3-diol.

Molecular Properties

Compound Name2,2-diethylhexane-1,3-diol
PubChem CID19373836
Molecular FormulaC10H22O2
Molecular Weight174.28 g/mol
Exact Mass174.16
IUPAC Name2,2-diethylhexane-1,3-diol
SMILESCCCC(O)C(CC)(CC)CO
InChIInChI=1S/C10H22O2/c1-4-7-9(12)10(5-2,6-3)8-11/h9,11-12H,4-8H2,1-3H3
InChIKeyFESYJZRHABPKHI-UHFFFAOYSA-N
XLogP1.95
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 ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-butyl-2-ethylpentane-1,3-diol
CID 18330697
3,3-diethyldecan-4-ol
CID 150278197
2,2-bis(hydroxymethyl)pentane-1,3-diol
CID 23108303
(3R)-2,2-dimethylhexan-3-ol
CID 7004855
1,1,1-tris(sulfanyl)pentan-2-ol
CID 89422336
(2R)-1,1,1-trifluoropentan-2-ol
CID 13299815
4,4-diethyloctane-3,5-diol
CID 67160941
[2-ethyl-1-hydroxy-2-(hydroxymethyl)hexyl]-trihydroxyphosphanium
CID 87960720
2,2-bis(hydroxymethyl)hexadecane-1,3-diol;dihydroxyphosphanyl dihydrogen phosphite
CID 162048403
2-chloro-2-methylhexan-3-ol
CID 130124789
2-ethyl-2-(hydroxymethyl)-3-methylbutane-1,4-diol
CID 87645352
2-butyl-2-ethyl-4-methylpentane-1,3-diol
CID 19375182

Frequently Asked Questions

What is the IUPAC name of 2,2-diethylhexane-1,3-diol?
The IUPAC name of 2,2-diethylhexane-1,3-diol (CID 19373836) is 2,2-diethylhexane-1,3-diol.
What is the SMILES notation for 2,2-diethylhexane-1,3-diol?
The canonical SMILES for 2,2-diethylhexane-1,3-diol is CCCC(O)C(CC)(CC)CO.
What is the InChIKey of 2,2-diethylhexane-1,3-diol?
The InChIKey is FESYJZRHABPKHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22O2/c1-4-7-9(12)10(5-2,6-3)8-11/h9,11-12H,4-8H2,1-3H3.
What are the key properties of 2,2-diethylhexane-1,3-diol?
2,2-diethylhexane-1,3-diol has a molecular weight of 174.28 g/mol, XLogP of 1.95, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-diethylhexane-1,3-diol is sourced from PubChem (CID 19373836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).