2-ethyl-2-methylpentane-1,4-diol

C8H18O2 — CID 57298661

IUPAC2-ethyl-2-methylpentane-1,4-diol
SMILESCCC(C)(CO)CC(C)O
InChIInChI=1S/C8H18O2/c1-4-8(3,6-9)5-7(2)10/h7,9-10H,4-6H2,1-3H3
InChIKeyIQCDIRVZHUDSHF-UHFFFAOYSA-N
MW146.23 g/mol
LogP1.17
Rot. Bonds4

About 2-ethyl-2-methylpentane-1,4-diol

2-ethyl-2-methylpentane-1,4-diol (PubChem CID 57298661) has the molecular formula C8H18O2 and a molecular weight of 146.23 g/mol. Its IUPAC name is 2-ethyl-2-methylpentane-1,4-diol.

Molecular Properties

Compound Name2-ethyl-2-methylpentane-1,4-diol
PubChem CID57298661
Molecular FormulaC8H18O2
Molecular Weight146.23 g/mol
Exact Mass146.13
IUPAC Name2-ethyl-2-methylpentane-1,4-diol
SMILESCCC(C)(CO)CC(C)O
InChIInChI=1S/C8H18O2/c1-4-8(3,6-9)5-7(2)10/h7,9-10H,4-6H2,1-3H3
InChIKeyIQCDIRVZHUDSHF-UHFFFAOYSA-N
XLogP1.17
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 ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-(hydroxymethyl)-2,4-dimethylhexanoic acid
CID 20734605
2-methylpentane-2,4-diol;2-methyl-2-propylpropane-1,3-diol
CID 88709547
butan-2-ol;ethanol
CID 87396559
butan-2-ol;ethanol
CID 174347632
CID 157498325
CID 157498325
pentakis(butan-2-ol);molybdenum
CID 152613437
aluminum butan-2-ol
CID 23623700
tris(butan-2-ol);gallane
CID 175569742
3-ethyl-3-methylpentane-1,1-diol
CID 23586221
(2R)-4,4-dimethylpentan-2-ol
CID 7014873
(2S)-2-ethyl-2-methylbutane-1,4-diol
CID 89138945
4,4,6-trimethyloctan-2-ol
CID 64717881

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-methylpentane-1,4-diol?
The IUPAC name of 2-ethyl-2-methylpentane-1,4-diol (CID 57298661) is 2-ethyl-2-methylpentane-1,4-diol.
What is the SMILES notation for 2-ethyl-2-methylpentane-1,4-diol?
The canonical SMILES for 2-ethyl-2-methylpentane-1,4-diol is CCC(C)(CO)CC(C)O.
What is the InChIKey of 2-ethyl-2-methylpentane-1,4-diol?
The InChIKey is IQCDIRVZHUDSHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18O2/c1-4-8(3,6-9)5-7(2)10/h7,9-10H,4-6H2,1-3H3.
What are the key properties of 2-ethyl-2-methylpentane-1,4-diol?
2-ethyl-2-methylpentane-1,4-diol has a molecular weight of 146.23 g/mol, XLogP of 1.17, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-methylpentane-1,4-diol is sourced from PubChem (CID 57298661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).