3-ethyl-2-methylpentane-2,4-diol

C8H18O2 — CID 22987699

IUPAC3-ethyl-2-methylpentane-2,4-diol
SMILESCCC(C(C)O)C(C)(C)O
InChIInChI=1S/C8H18O2/c1-5-7(6(2)9)8(3,4)10/h6-7,9-10H,5H2,1-4H3
InChIKeyPLWQDACNHXVVLS-UHFFFAOYSA-N
MW146.23 g/mol
LogP1.16
Rot. Bonds3

About 3-ethyl-2-methylpentane-2,4-diol

3-ethyl-2-methylpentane-2,4-diol (PubChem CID 22987699) has the molecular formula C8H18O2 and a molecular weight of 146.23 g/mol. Its IUPAC name is 3-ethyl-2-methylpentane-2,4-diol.

Molecular Properties

Compound Name3-ethyl-2-methylpentane-2,4-diol
PubChem CID22987699
Molecular FormulaC8H18O2
Molecular Weight146.23 g/mol
Exact Mass146.13
IUPAC Name3-ethyl-2-methylpentane-2,4-diol
SMILESCCC(C(C)O)C(C)(C)O
InChIInChI=1S/C8H18O2/c1-5-7(6(2)9)8(3,4)10/h6-7,9-10H,5H2,1-4H3
InChIKeyPLWQDACNHXVVLS-UHFFFAOYSA-N
XLogP1.16
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.23
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2-methylpentane-2,4-diol?
The IUPAC name of 3-ethyl-2-methylpentane-2,4-diol (CID 22987699) is 3-ethyl-2-methylpentane-2,4-diol.
What is the SMILES notation for 3-ethyl-2-methylpentane-2,4-diol?
The canonical SMILES for 3-ethyl-2-methylpentane-2,4-diol is CCC(C(C)O)C(C)(C)O.
What is the InChIKey of 3-ethyl-2-methylpentane-2,4-diol?
The InChIKey is PLWQDACNHXVVLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18O2/c1-5-7(6(2)9)8(3,4)10/h6-7,9-10H,5H2,1-4H3.
What are the key properties of 3-ethyl-2-methylpentane-2,4-diol?
3-ethyl-2-methylpentane-2,4-diol has a molecular weight of 146.23 g/mol, XLogP of 1.16, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2-methylpentane-2,4-diol is sourced from PubChem (CID 22987699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).