2,4-dimethylpentan-3-ol

C7H16O — CID 11752

IUPAC2,4-dimethylpentan-3-ol
SMILESCC(C)C(O)C(C)C
InChIInChI=1S/C7H16O/c1-5(2)7(8)6(3)4/h5-8H,1-4H3
InChIKeyBAYAKMPRFGNNFW-UHFFFAOYSA-N
MW116.20 g/mol
LogP1.66
Rot. Bonds2

About 2,4-dimethylpentan-3-ol

2,4-dimethylpentan-3-ol (PubChem CID 11752) has the molecular formula C7H16O and a molecular weight of 116.20 g/mol. Its IUPAC name is 2,4-dimethylpentan-3-ol.

Molecular Properties

Compound Name2,4-dimethylpentan-3-ol
PubChem CID11752
Molecular FormulaC7H16O
Molecular Weight116.20 g/mol
Exact Mass116.12
IUPAC Name2,4-dimethylpentan-3-ol
SMILESCC(C)C(O)C(C)C
InChIInChI=1S/C7H16O/c1-5(2)7(8)6(3)4/h5-8H,1-4H3
InChIKeyBAYAKMPRFGNNFW-UHFFFAOYSA-N
XLogP1.66
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.20
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-Methyl-2-Pentanol
CID 7910
3-Methyl-2-butanol
CID 11732
3-Methylpentan-2-ol
CID 11261
2-Methyl-3-hexanol
CID 12040
2-Methylpentan-3-ol
CID 11264
5-Methyl-2-hexanol
CID 12323
2-Pentanol, 3-ethyl-
CID 79069
2,2-Dimethyl-3-pentanol
CID 19871
4-Methylhexan-3-ol
CID 11991
3-Methylhexan-2-ol
CID 16835
2,4-Dimethylhexan-3-ol
CID 98257
3-Hexanol, 4-ethyl-
CID 140585

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethylpentan-3-ol?
The IUPAC name of 2,4-dimethylpentan-3-ol (CID 11752) is 2,4-dimethylpentan-3-ol.
What is the SMILES notation for 2,4-dimethylpentan-3-ol?
The canonical SMILES for 2,4-dimethylpentan-3-ol is CC(C)C(O)C(C)C.
What is the InChIKey of 2,4-dimethylpentan-3-ol?
The InChIKey is BAYAKMPRFGNNFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16O/c1-5(2)7(8)6(3)4/h5-8H,1-4H3.
What are the key properties of 2,4-dimethylpentan-3-ol?
2,4-dimethylpentan-3-ol has a molecular weight of 116.20 g/mol, XLogP of 1.66, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethylpentan-3-ol is sourced from PubChem (CID 11752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).