(3R)-2,2-dimethylhexan-3-ol

C8H18O — CID 7004855

IUPAC(3R)-2,2-dimethylhexan-3-ol
SMILESCCC[C@@H](O)C(C)(C)C
InChIInChI=1S/C8H18O/c1-5-6-7(9)8(2,3)4/h7,9H,5-6H2,1-4H3/t7-/m1/s1
InChIKeyPFHLGQKVKALLMD-SSDOTTSWSA-N
MW130.23 g/mol
LogP2.19
Rot. Bonds2

About (3R)-2,2-dimethylhexan-3-ol

(3R)-2,2-dimethylhexan-3-ol (PubChem CID 7004855) has the molecular formula C8H18O and a molecular weight of 130.23 g/mol. Its IUPAC name is (3R)-2,2-dimethylhexan-3-ol.

Molecular Properties

Compound Name(3R)-2,2-dimethylhexan-3-ol
PubChem CID7004855
Molecular FormulaC8H18O
Molecular Weight130.23 g/mol
Exact Mass130.14
IUPAC Name(3R)-2,2-dimethylhexan-3-ol
SMILESCCC[C@@H](O)C(C)(C)C
InChIInChI=1S/C8H18O/c1-5-6-7(9)8(2,3)4/h7,9H,5-6H2,1-4H3/t7-/m1/s1
InChIKeyPFHLGQKVKALLMD-SSDOTTSWSA-N
XLogP2.19
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.23
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-chloro-2-methylhexan-3-ol
CID 130124789
2,2,11,11-tetramethyldodecane-3,10-diol
CID 86054845
1-(dipropylamino)-4,4-dimethylpentan-3-ol
CID 62623381
(2R)-1,1,1-trifluoropentan-2-ol
CID 13299815
1-amino-4,4-dimethylpentan-3-ol
CID 55283756
1,1,1-tris(sulfanyl)pentan-2-ol
CID 89422336
N-(3-hydroxy-4,4-dimethylpentyl)-2-propylpentanamide
CID 90523339
(3R)-3-hydroxy-2,2-dimethylhexanoic acid
CID 45380206
(3S)-3-hydroxy-2,2-dimethylhexanoic acid
CID 45380205
(3-hydroxy-2-methylhexan-2-yl)phosphonic acid
CID 174829705
4-hydroxy-5,5-dimethylhexanenitrile
CID 10654308
(5S)-2,2,5-trimethylheptan-3-ol
CID 91117012

Frequently Asked Questions

What is the IUPAC name of (3R)-2,2-dimethylhexan-3-ol?
The IUPAC name of (3R)-2,2-dimethylhexan-3-ol (CID 7004855) is (3R)-2,2-dimethylhexan-3-ol.
What is the SMILES notation for (3R)-2,2-dimethylhexan-3-ol?
The canonical SMILES for (3R)-2,2-dimethylhexan-3-ol is CCC[C@@H](O)C(C)(C)C.
What is the InChIKey of (3R)-2,2-dimethylhexan-3-ol?
The InChIKey is PFHLGQKVKALLMD-SSDOTTSWSA-N. The full InChI is InChI=1S/C8H18O/c1-5-6-7(9)8(2,3)4/h7,9H,5-6H2,1-4H3/t7-/m1/s1.
What are the key properties of (3R)-2,2-dimethylhexan-3-ol?
(3R)-2,2-dimethylhexan-3-ol has a molecular weight of 130.23 g/mol, XLogP of 2.19, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-2,2-dimethylhexan-3-ol is sourced from PubChem (CID 7004855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).