2,2-dimethylpentan-3-ol

C7H16O — CID 19871

IUPAC2,2-dimethylpentan-3-ol
SMILESCCC(O)C(C)(C)C
InChIInChI=1S/C7H16O/c1-5-6(8)7(2,3)4/h6,8H,5H2,1-4H3
InChIKeyHMSVXZJWPVIVIV-UHFFFAOYSA-N
MW116.20 g/mol
LogP1.80
Rot. Bonds1

About 2,2-dimethylpentan-3-ol

2,2-dimethylpentan-3-ol (PubChem CID 19871) has the molecular formula C7H16O and a molecular weight of 116.20 g/mol. Its IUPAC name is 2,2-dimethylpentan-3-ol.

Molecular Properties

Compound Name2,2-dimethylpentan-3-ol
PubChem CID19871
Molecular FormulaC7H16O
Molecular Weight116.20 g/mol
Exact Mass116.12
IUPAC Name2,2-dimethylpentan-3-ol
SMILESCCC(O)C(C)(C)C
InChIInChI=1S/C7H16O/c1-5-6(8)7(2,3)4/h6,8H,5H2,1-4H3
InChIKeyHMSVXZJWPVIVIV-UHFFFAOYSA-N
XLogP1.80
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
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

3,3-Dimethyl-2-butanol
CID 10045
2,4-Dimethyl-3-pentanol
CID 11752
2-Methylpentan-3-ol
CID 11264
Neoheptanol
CID 16911
2,2-Dimethylhexan-3-ol
CID 98265
4,4-Dimethyl-1-pentanol
CID 18393
4,4-Dimethylpentan-2-ol
CID 110789
(2R)-3,3-dimethylbutan-2-ol
CID 6992799
(2S)-3,3-Dimethyl-2-butanol
CID 6999961
2,2,4-Trimethyl-3-pentanol
CID 107378
2,2,4,4-Tetramethylpentan-3-ol
CID 139790
(2R)-4,4-dimethylpentan-2-ol
CID 7014873

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethylpentan-3-ol?
The IUPAC name of 2,2-dimethylpentan-3-ol (CID 19871) is 2,2-dimethylpentan-3-ol.
What is the SMILES notation for 2,2-dimethylpentan-3-ol?
The canonical SMILES for 2,2-dimethylpentan-3-ol is CCC(O)C(C)(C)C.
What is the InChIKey of 2,2-dimethylpentan-3-ol?
The InChIKey is HMSVXZJWPVIVIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16O/c1-5-6(8)7(2,3)4/h6,8H,5H2,1-4H3.
What are the key properties of 2,2-dimethylpentan-3-ol?
2,2-dimethylpentan-3-ol has a molecular weight of 116.20 g/mol, XLogP of 1.80, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethylpentan-3-ol is sourced from PubChem (CID 19871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).