2,4-dimethylpentan-2-ol

C7H16O — CID 12235

IUPAC2,4-dimethylpentan-2-ol
SMILESCC(C)CC(C)(C)O
InChIInChI=1S/C7H16O/c1-6(2)5-7(3,4)8/h6,8H,5H2,1-4H3
InChIKeyFMLSQAUAAGVTJO-UHFFFAOYSA-N
MW116.20 g/mol
LogP1.80
Rot. Bonds2

About 2,4-dimethylpentan-2-ol

2,4-dimethylpentan-2-ol (PubChem CID 12235) has the molecular formula C7H16O and a molecular weight of 116.20 g/mol. Its IUPAC name is 2,4-dimethylpentan-2-ol.

Molecular Properties

Compound Name2,4-dimethylpentan-2-ol
PubChem CID12235
Molecular FormulaC7H16O
Molecular Weight116.20 g/mol
Exact Mass116.12
IUPAC Name2,4-dimethylpentan-2-ol
SMILESCC(C)CC(C)(C)O
InChIInChI=1S/C7H16O/c1-6(2)5-7(3,4)8/h6,8H,5H2,1-4H3
InChIKeyFMLSQAUAAGVTJO-UHFFFAOYSA-N
XLogP1.80
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 ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2,3,4-Trimethyl-3-pentanol
CID 520484
2-Methylpentan-2-ol
CID 11543
2-Methylhexan-2-ol
CID 12240
2,4,4-Trimethyl-2-pentanol
CID 94740
2,3-Dimethyl-2-pentanol
CID 21019
3-Hexanol, 3-methyl-
CID 11708
3-Ethyl-2-methyl-3-pentanol
CID 136390
3,5-Dimethyl-3-hexanol
CID 98266
2,4-Pentanediol, 2,4-dimethyl-
CID 141153
2,5-Dimethylhexan-2-ol
CID 19506
3,4-Dimethyl-3-hexanol
CID 140548
2-Cyclopropyl-2-propanol
CID 301459

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethylpentan-2-ol?
The IUPAC name of 2,4-dimethylpentan-2-ol (CID 12235) is 2,4-dimethylpentan-2-ol.
What is the SMILES notation for 2,4-dimethylpentan-2-ol?
The canonical SMILES for 2,4-dimethylpentan-2-ol is CC(C)CC(C)(C)O.
What is the InChIKey of 2,4-dimethylpentan-2-ol?
The InChIKey is FMLSQAUAAGVTJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16O/c1-6(2)5-7(3,4)8/h6,8H,5H2,1-4H3.
What are the key properties of 2,4-dimethylpentan-2-ol?
2,4-dimethylpentan-2-ol has a molecular weight of 116.20 g/mol, XLogP of 1.80, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethylpentan-2-ol is sourced from PubChem (CID 12235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).