2,2-dimethylpropane;(2R)-2,3,3-trimethylbutan-1-ol

C12H28O — CID 158433518

IUPAC2,2-dimethylpropane;(2R)-2,3,3-trimethylbutan-1-ol
SMILESCC(C)(C)C.C[C@@H](CO)C(C)(C)C
InChIInChI=1S/C7H16O.C5H12/c1-6(5-8)7(2,3)4;1-5(2,3)4/h6,8H,5H2,1-4H3;1-4H3/t6-;/m0./s1
InChIKeyHBYFVVAIVGOLCS-RGMNGODLSA-N
MW188.35 g/mol
LogP3.71
Rot. Bonds1

About 2,2-dimethylpropane;(2R)-2,3,3-trimethylbutan-1-ol

2,2-dimethylpropane;(2R)-2,3,3-trimethylbutan-1-ol (PubChem CID 158433518) has the molecular formula C12H28O and a molecular weight of 188.35 g/mol. Its IUPAC name is 2,2-dimethylpropane;(2R)-2,3,3-trimethylbutan-1-ol.

Molecular Properties

Compound Name2,2-dimethylpropane;(2R)-2,3,3-trimethylbutan-1-ol
PubChem CID158433518
Molecular FormulaC12H28O
Molecular Weight188.35 g/mol
Exact Mass188.21
IUPAC Name2,2-dimethylpropane;(2R)-2,3,3-trimethylbutan-1-ol
SMILESCC(C)(C)C.C[C@@H](CO)C(C)(C)C
InChIInChI=1S/C7H16O.C5H12/c1-6(5-8)7(2,3)4;1-5(2,3)4/h6,8H,5H2,1-4H3;1-4H3/t6-;/m0./s1
InChIKeyHBYFVVAIVGOLCS-RGMNGODLSA-N
XLogP3.71
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.35
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2,2-dimethylpropane;2-methylpropan-1-ol
CID 158369394
(3S)-3,4,4-trimethylpentan-1-ol
CID 124507131
3-amino-2,3-dimethylbutan-1-ol;hydrochloride
CID 173013656
3-(4-hydroxy-2,3-dimethylbutan-2-yl)oxy-2,3-dimethylbutan-1-ol
CID 87369520
(2S,3R)-2,3-dimethylpentane-1,3-diol
CID 15314348
3,3,3-trifluoro-2-methylpropan-1-ol
CID 10148993
2-ethyl-2,3-dimethylbutane-1,4-diol
CID 57175682
4,5,5-trimethyl-2-propylhexan-1-ol
CID 156689445
3,3-dimethylbutan-1-ol;5,5-dimethylhexane-1,2-diol;4,4-dimethylpentane-1,2-diol;4,4-dimethylpentan-1-ol;2,2-dimethylpropane;(2S)-2,3,3-trimethylbutan-1-ol
CID 158586142
2,3,5-trimethylhexane-1,3,4,5-tetrol
CID 140988285
(2R,3R)-2-tert-butylbutane-1,3-diol
CID 130875364
(2R)-2,3-dimethylbutan-1-ol;(2S)-2,3-dimethylbutan-1-ol;(2S)-2-methylbutan-1-ol;(2R)-2-methylbutan-1-ol;(2R)-2-methylpentan-1-ol;(2S)-2-methylpentan-1-ol;(2R,3S)-3-methylpentan-2-ol;(2R)-2,3,3-trimethylbutan-1-ol;(2S)-2,3,3-trimethylbutan-1-ol
CID 158599467

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethylpropane;(2R)-2,3,3-trimethylbutan-1-ol?
The IUPAC name of 2,2-dimethylpropane;(2R)-2,3,3-trimethylbutan-1-ol (CID 158433518) is 2,2-dimethylpropane;(2R)-2,3,3-trimethylbutan-1-ol.
What is the SMILES notation for 2,2-dimethylpropane;(2R)-2,3,3-trimethylbutan-1-ol?
The canonical SMILES for 2,2-dimethylpropane;(2R)-2,3,3-trimethylbutan-1-ol is CC(C)(C)C.C[C@@H](CO)C(C)(C)C.
What is the InChIKey of 2,2-dimethylpropane;(2R)-2,3,3-trimethylbutan-1-ol?
The InChIKey is HBYFVVAIVGOLCS-RGMNGODLSA-N. The full InChI is InChI=1S/C7H16O.C5H12/c1-6(5-8)7(2,3)4;1-5(2,3)4/h6,8H,5H2,1-4H3;1-4H3/t6-;/m0./s1.
What are the key properties of 2,2-dimethylpropane;(2R)-2,3,3-trimethylbutan-1-ol?
2,2-dimethylpropane;(2R)-2,3,3-trimethylbutan-1-ol has a molecular weight of 188.35 g/mol, XLogP of 3.71, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethylpropane;(2R)-2,3,3-trimethylbutan-1-ol is sourced from PubChem (CID 158433518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).