3-ethyl-4,4-dimethylpentane-2,3-diol

C9H20O2 — CID 166451155

IUPAC3-ethyl-4,4-dimethylpentane-2,3-diol
SMILESCCC(O)(C(C)O)C(C)(C)C
InChIInChI=1S/C9H20O2/c1-6-9(11,7(2)10)8(3,4)5/h7,10-11H,6H2,1-5H3
InChIKeyODRMVCDUHYIDJO-UHFFFAOYSA-N
MW160.26 g/mol
LogP1.55
Rot. Bonds2

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

3-ethyl-4,4-dimethylpentane-2,3-diol (PubChem CID 166451155) has the molecular formula C9H20O2 and a molecular weight of 160.26 g/mol. Its IUPAC name is 3-ethyl-4,4-dimethylpentane-2,3-diol.

Molecular Properties

Compound Name3-ethyl-4,4-dimethylpentane-2,3-diol
PubChem CID166451155
Molecular FormulaC9H20O2
Molecular Weight160.26 g/mol
Exact Mass160.15
IUPAC Name3-ethyl-4,4-dimethylpentane-2,3-diol
SMILESCCC(O)(C(C)O)C(C)(C)C
InChIInChI=1S/C9H20O2/c1-6-9(11,7(2)10)8(3,4)5/h7,10-11H,6H2,1-5H3
InChIKeyODRMVCDUHYIDJO-UHFFFAOYSA-N
XLogP1.55
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.26
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-4,4-dimethylpentane-2,3-diol?
The IUPAC name of 3-ethyl-4,4-dimethylpentane-2,3-diol (CID 166451155) is 3-ethyl-4,4-dimethylpentane-2,3-diol.
What is the SMILES notation for 3-ethyl-4,4-dimethylpentane-2,3-diol?
The canonical SMILES for 3-ethyl-4,4-dimethylpentane-2,3-diol is CCC(O)(C(C)O)C(C)(C)C.
What is the InChIKey of 3-ethyl-4,4-dimethylpentane-2,3-diol?
The InChIKey is ODRMVCDUHYIDJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20O2/c1-6-9(11,7(2)10)8(3,4)5/h7,10-11H,6H2,1-5H3.
What are the key properties of 3-ethyl-4,4-dimethylpentane-2,3-diol?
3-ethyl-4,4-dimethylpentane-2,3-diol has a molecular weight of 160.26 g/mol, XLogP of 1.55, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-4,4-dimethylpentane-2,3-diol is sourced from PubChem (CID 166451155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).