3-methylpentan-3-ol

C6H14O — CID 6493

IUPAC3-methylpentan-3-ol
SMILESCCC(C)(O)CC
InChIInChI=1S/C6H14O/c1-4-6(3,7)5-2/h7H,4-5H2,1-3H3
InChIKeyFRDAATYAJDYRNW-UHFFFAOYSA-N
MW102.18 g/mol
LogP1.56
Rot. Bonds2

About 3-methylpentan-3-ol

3-methylpentan-3-ol (PubChem CID 6493) has the molecular formula C6H14O and a molecular weight of 102.18 g/mol. Its IUPAC name is 3-methylpentan-3-ol.

Molecular Properties

Compound Name3-methylpentan-3-ol
PubChem CID6493
Molecular FormulaC6H14O
Molecular Weight102.18 g/mol
Exact Mass102.10
IUPAC Name3-methylpentan-3-ol
SMILESCCC(C)(O)CC
InChIInChI=1S/C6H14O/c1-4-6(3,7)5-2/h7H,4-5H2,1-3H3
InChIKeyFRDAATYAJDYRNW-UHFFFAOYSA-N
XLogP1.56
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500102.18
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-methylpentan-3-ol?
The IUPAC name of 3-methylpentan-3-ol (CID 6493) is 3-methylpentan-3-ol.
What is the SMILES notation for 3-methylpentan-3-ol?
The canonical SMILES for 3-methylpentan-3-ol is CCC(C)(O)CC.
What is the InChIKey of 3-methylpentan-3-ol?
The InChIKey is FRDAATYAJDYRNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14O/c1-4-6(3,7)5-2/h7H,4-5H2,1-3H3.
What are the key properties of 3-methylpentan-3-ol?
3-methylpentan-3-ol has a molecular weight of 102.18 g/mol, XLogP of 1.56, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylpentan-3-ol is sourced from PubChem (CID 6493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).