3,4-diethylhexane-3,4-diol

C10H22O2 — CID 23358

IUPAC3,4-diethylhexane-3,4-diol
SMILESCCC(O)(CC)C(O)(CC)CC
InChIInChI=1S/C10H22O2/c1-5-9(11,6-2)10(12,7-3)8-4/h11-12H,5-8H2,1-4H3
InChIKeyHDXDBVSPBNTNNA-UHFFFAOYSA-N
MW174.28 g/mol
LogP2.09
Rot. Bonds5

About 3,4-diethylhexane-3,4-diol

3,4-diethylhexane-3,4-diol (PubChem CID 23358) has the molecular formula C10H22O2 and a molecular weight of 174.28 g/mol. Its IUPAC name is 3,4-diethylhexane-3,4-diol.

Molecular Properties

Compound Name3,4-diethylhexane-3,4-diol
PubChem CID23358
Molecular FormulaC10H22O2
Molecular Weight174.28 g/mol
Exact Mass174.16
IUPAC Name3,4-diethylhexane-3,4-diol
SMILESCCC(O)(CC)C(O)(CC)CC
InChIInChI=1S/C10H22O2/c1-5-9(11,6-2)10(12,7-3)8-4/h11-12H,5-8H2,1-4H3
InChIKeyHDXDBVSPBNTNNA-UHFFFAOYSA-N
XLogP2.09
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 ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3,4-Dimethyl-3-hexanol
CID 140548
3-Ethylhexan-3-ol
CID 69008
2,3,5-Trimethylhexan-3-ol
CID 21720135
3,4-Diethyl-3-hexanol
CID 140528
2-Methyl-3-(propan-2-yl)hexan-3-ol
CID 13050119
2,3-Dimethyl-3-hexanol
CID 107235
3,4-Dimethyl-3,4-hexanediol
CID 223377
2,3-Dimethyl-hexane-2,3-diol
CID 21291185
2,5-Dimethyl-3-(1-methylethyl)-3-hexanol
CID 20466941
2,3,4-Trimethylhexan-3-ol
CID 20798443
3-Hexanol, 4-ethyl-3-methyl-
CID 106695
3-Ethylhexane-3,4-diol
CID 12810332

Frequently Asked Questions

What is the IUPAC name of 3,4-diethylhexane-3,4-diol?
The IUPAC name of 3,4-diethylhexane-3,4-diol (CID 23358) is 3,4-diethylhexane-3,4-diol.
What is the SMILES notation for 3,4-diethylhexane-3,4-diol?
The canonical SMILES for 3,4-diethylhexane-3,4-diol is CCC(O)(CC)C(O)(CC)CC.
What is the InChIKey of 3,4-diethylhexane-3,4-diol?
The InChIKey is HDXDBVSPBNTNNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22O2/c1-5-9(11,6-2)10(12,7-3)8-4/h11-12H,5-8H2,1-4H3.
What are the key properties of 3,4-diethylhexane-3,4-diol?
3,4-diethylhexane-3,4-diol has a molecular weight of 174.28 g/mol, XLogP of 2.09, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-diethylhexane-3,4-diol is sourced from PubChem (CID 23358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).