(2R)-4,4-dimethylpentan-2-ol

C7H16O — CID 7014873

IUPAC(2R)-4,4-dimethylpentan-2-ol
SMILESC[C@@H](O)CC(C)(C)C
InChIInChI=1S/C7H16O/c1-6(8)5-7(2,3)4/h6,8H,5H2,1-4H3/t6-/m1/s1
InChIKeyOIBKGNPMOMMSSI-ZCFIWIBFSA-N
MW116.20 g/mol
LogP1.80
Rot. Bonds1

About (2R)-4,4-dimethylpentan-2-ol

(2R)-4,4-dimethylpentan-2-ol (PubChem CID 7014873) has the molecular formula C7H16O and a molecular weight of 116.20 g/mol. Its IUPAC name is (2R)-4,4-dimethylpentan-2-ol.

Molecular Properties

Compound Name(2R)-4,4-dimethylpentan-2-ol
PubChem CID7014873
Molecular FormulaC7H16O
Molecular Weight116.20 g/mol
Exact Mass116.12
IUPAC Name(2R)-4,4-dimethylpentan-2-ol
SMILESC[C@@H](O)CC(C)(C)C
InChIInChI=1S/C7H16O/c1-6(8)5-7(2,3)4/h6,8H,5H2,1-4H3/t6-/m1/s1
InChIKeyOIBKGNPMOMMSSI-ZCFIWIBFSA-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

4,4,6,8,8-pentamethylnonan-2-ol
CID 156689578
4-methylheptane-2,4,6-triol
CID 90439710
2-methylpentane-2,4-diol
CID 7870
4,4,7,7-tetramethyloctan-2-ol
CID 64716189
(3R)-2,5,5-trimethylhexan-3-ol
CID 167343865
(2S)-4,4,5-trimethylhexan-2-ol
CID 164734993
4,7,7-trimethyloctane-2,4-diol
CID 90823265
4,4,8,8-tetramethylnonan-2-ol
CID 122384584
ethane;2,2,4,6,6-pentamethylheptane
CID 142211592
2-methanidylpentane-2,4-diol;zirconium
CID 87932896
4,5-dimethyl-4,5-bis(sulfanyl)hexan-2-ol
CID 175208274
(2S,5S)-5-amino-4,4-dimethylhexan-2-ol
CID 97033653

Frequently Asked Questions

What is the IUPAC name of (2R)-4,4-dimethylpentan-2-ol?
The IUPAC name of (2R)-4,4-dimethylpentan-2-ol (CID 7014873) is (2R)-4,4-dimethylpentan-2-ol.
What is the SMILES notation for (2R)-4,4-dimethylpentan-2-ol?
The canonical SMILES for (2R)-4,4-dimethylpentan-2-ol is C[C@@H](O)CC(C)(C)C.
What is the InChIKey of (2R)-4,4-dimethylpentan-2-ol?
The InChIKey is OIBKGNPMOMMSSI-ZCFIWIBFSA-N. The full InChI is InChI=1S/C7H16O/c1-6(8)5-7(2,3)4/h6,8H,5H2,1-4H3/t6-/m1/s1.
What are the key properties of (2R)-4,4-dimethylpentan-2-ol?
(2R)-4,4-dimethylpentan-2-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 (2R)-4,4-dimethylpentan-2-ol is sourced from PubChem (CID 7014873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).