2-ethyl-2,3-dimethylbutane-1,4-diol

C8H18O2 — CID 57175682

IUPAC2-ethyl-2,3-dimethylbutane-1,4-diol
SMILESCCC(C)(CO)C(C)CO
InChIInChI=1S/C8H18O2/c1-4-8(3,6-10)7(2)5-9/h7,9-10H,4-6H2,1-3H3
InChIKeyUPFQUOWXDNUBNS-UHFFFAOYSA-N
MW146.23 g/mol
LogP1.02
Rot. Bonds4

About 2-ethyl-2,3-dimethylbutane-1,4-diol

2-ethyl-2,3-dimethylbutane-1,4-diol (PubChem CID 57175682) has the molecular formula C8H18O2 and a molecular weight of 146.23 g/mol. Its IUPAC name is 2-ethyl-2,3-dimethylbutane-1,4-diol.

Molecular Properties

Compound Name2-ethyl-2,3-dimethylbutane-1,4-diol
PubChem CID57175682
Molecular FormulaC8H18O2
Molecular Weight146.23 g/mol
Exact Mass146.13
IUPAC Name2-ethyl-2,3-dimethylbutane-1,4-diol
SMILESCCC(C)(CO)C(C)CO
InChIInChI=1S/C8H18O2/c1-4-8(3,6-10)7(2)5-9/h7,9-10H,4-6H2,1-3H3
InChIKeyUPFQUOWXDNUBNS-UHFFFAOYSA-N
XLogP1.02
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.23
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S,3R)-2,3-dimethylpentane-1,3-diol
CID 15314348
2-ethyl-2-(hydroxymethyl)-3-methylbutane-1,4-diol
CID 87645352
2,2-dimethylpropane;(2R)-2,3,3-trimethylbutan-1-ol
CID 158433518
3-methoxy-2,3-dimethylpentan-1-ol
CID 87273365
3-ethyl-3,4-dimethylhexan-1-ol
CID 139931255
2-ethyl-6-(2-hydroxyethyl)-2,4-dimethyloctane-1,3,8-triol
CID 91010902
2-ethyl-2,5,7,7-tetramethyloctane-1,3,4,8-tetrol
CID 90460331
3,5-diethyl-3,5-dimethylheptan-4-ol
CID 58905143
3-amino-2,3-dimethylbutan-1-ol;hydrochloride
CID 173013656
2-methyl-2-propan-2-ylbutane-1,4-diol
CID 54159486
3-(4-hydroxy-2,3-dimethylbutan-2-yl)oxy-2,3-dimethylbutan-1-ol
CID 87369520
2-ethoxy-2-(hydroxymethyl)-3-methylbutane-1,4-diol
CID 87478259

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2,3-dimethylbutane-1,4-diol?
The IUPAC name of 2-ethyl-2,3-dimethylbutane-1,4-diol (CID 57175682) is 2-ethyl-2,3-dimethylbutane-1,4-diol.
What is the SMILES notation for 2-ethyl-2,3-dimethylbutane-1,4-diol?
The canonical SMILES for 2-ethyl-2,3-dimethylbutane-1,4-diol is CCC(C)(CO)C(C)CO.
What is the InChIKey of 2-ethyl-2,3-dimethylbutane-1,4-diol?
The InChIKey is UPFQUOWXDNUBNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18O2/c1-4-8(3,6-10)7(2)5-9/h7,9-10H,4-6H2,1-3H3.
What are the key properties of 2-ethyl-2,3-dimethylbutane-1,4-diol?
2-ethyl-2,3-dimethylbutane-1,4-diol has a molecular weight of 146.23 g/mol, XLogP of 1.02, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2,3-dimethylbutane-1,4-diol is sourced from PubChem (CID 57175682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).