2-butyl-2-ethylpentane-1,3-diol

C11H24O2 — CID 18330697

IUPAC2-butyl-2-ethylpentane-1,3-diol
SMILESCCCCC(CC)(CO)C(O)CC
InChIInChI=1S/C11H24O2/c1-4-7-8-11(6-3,9-12)10(13)5-2/h10,12-13H,4-9H2,1-3H3
InChIKeyBRYIXFZUYRRHCR-UHFFFAOYSA-N
MW188.31 g/mol
LogP2.34
Rot. Bonds7

About 2-butyl-2-ethylpentane-1,3-diol

2-butyl-2-ethylpentane-1,3-diol (PubChem CID 18330697) has the molecular formula C11H24O2 and a molecular weight of 188.31 g/mol. Its IUPAC name is 2-butyl-2-ethylpentane-1,3-diol.

Molecular Properties

Compound Name2-butyl-2-ethylpentane-1,3-diol
PubChem CID18330697
Molecular FormulaC11H24O2
Molecular Weight188.31 g/mol
Exact Mass188.18
IUPAC Name2-butyl-2-ethylpentane-1,3-diol
SMILESCCCCC(CC)(CO)C(O)CC
InChIInChI=1S/C11H24O2/c1-4-7-8-11(6-3,9-12)10(13)5-2/h10,12-13H,4-9H2,1-3H3
InChIKeyBRYIXFZUYRRHCR-UHFFFAOYSA-N
XLogP2.34
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.31
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

[2-ethyl-1-hydroxy-2-(hydroxymethyl)hexyl]-trihydroxyphosphanium
CID 87960720
2-butyl-2-ethyl-4-methylpentane-1,3-diol
CID 19375182
2,2-bis(hydroxymethyl)pentane-1,3-diol
CID 23108303
2-butyl-2-methylpentane-1,3-diol
CID 14742514
4-amino-2,2-dipentylbutane-1,3-diol
CID 88820796
2,2-diethylhexane-1,3-diol
CID 19373836
2-(aminomethyl)-2-(hydroxymethyl)pentane-1,3-diol
CID 54221032
2,2-diethyloctane-1,1-diol
CID 18324063
4,4-dimethylhexadecan-3-ol
CID 168719984
2-heptyl-2-propan-2-ylpropane-1,3-diol
CID 79450915
2-hexyl-2-propan-2-ylpropane-1,3-diol
CID 79450743
2-decyl-2-propan-2-ylpropane-1,3-diol
CID 79450466

Frequently Asked Questions

What is the IUPAC name of 2-butyl-2-ethylpentane-1,3-diol?
The IUPAC name of 2-butyl-2-ethylpentane-1,3-diol (CID 18330697) is 2-butyl-2-ethylpentane-1,3-diol.
What is the SMILES notation for 2-butyl-2-ethylpentane-1,3-diol?
The canonical SMILES for 2-butyl-2-ethylpentane-1,3-diol is CCCCC(CC)(CO)C(O)CC.
What is the InChIKey of 2-butyl-2-ethylpentane-1,3-diol?
The InChIKey is BRYIXFZUYRRHCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24O2/c1-4-7-8-11(6-3,9-12)10(13)5-2/h10,12-13H,4-9H2,1-3H3.
What are the key properties of 2-butyl-2-ethylpentane-1,3-diol?
2-butyl-2-ethylpentane-1,3-diol has a molecular weight of 188.31 g/mol, XLogP of 2.34, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-2-ethylpentane-1,3-diol is sourced from PubChem (CID 18330697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).