2,3-dimethylbutan-2-ol;2,3-dimethylbut-2-ene;hydrate

C12H28O2 — CID 157467331

IUPAC2,3-dimethylbutan-2-ol;2,3-dimethylbut-2-ene;hydrate
SMILESCC(C)=C(C)C.CC(C)C(C)(C)O.O
InChIInChI=1S/C6H14O.C6H12.H2O/c1-5(2)6(3,4)7;1-5(2)6(3)4;/h5,7H,1-4H3;1-4H3;1H2
InChIKeyFOLITXRVGGMWOD-UHFFFAOYSA-N
MW204.35 g/mol
LogP2.95
Rot. Bonds1

About 2,3-dimethylbutan-2-ol;2,3-dimethylbut-2-ene;hydrate

2,3-dimethylbutan-2-ol;2,3-dimethylbut-2-ene;hydrate (PubChem CID 157467331) has the molecular formula C12H28O2 and a molecular weight of 204.35 g/mol. Its IUPAC name is 2,3-dimethylbutan-2-ol;2,3-dimethylbut-2-ene;hydrate.

Molecular Properties

Compound Name2,3-dimethylbutan-2-ol;2,3-dimethylbut-2-ene;hydrate
PubChem CID157467331
Molecular FormulaC12H28O2
Molecular Weight204.35 g/mol
Exact Mass204.21
IUPAC Name2,3-dimethylbutan-2-ol;2,3-dimethylbut-2-ene;hydrate
SMILESCC(C)=C(C)C.CC(C)C(C)(C)O.O
InChIInChI=1S/C6H14O.C6H12.H2O/c1-5(2)6(3,4)7;1-5(2)6(3)4;/h5,7H,1-4H3;1-4H3;1H2
InChIKeyFOLITXRVGGMWOD-UHFFFAOYSA-N
XLogP2.95
TPSA51.73 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.35
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2,3-dimethyl(213C)butan-2-ol
CID 100985919
2,3-dimethylbutan-2-ol;titanium
CID 151633599
CID 154669639
CID 154669639
2,6-dihydroxy-2,3,5,6-tetramethylheptan-4-one
CID 150831609
(2S)-2-hydroxy-3-methylbutan-2-olate
CID 59952741
3-(1-hydroxyethyl)-2,4-dimethylpentane-2,4-diol
CID 87799633
(2R)-2-hydroxy-2,3-dimethylbutanenitrile
CID 12650901
2-methylpropane-1,1,2-triol
CID 22500679
2,3-dimethylpentane-2,4-diol
CID 12896299
2,4,4,5-tetramethyl-3-propan-2-ylhexan-3-ol
CID 142313824
azane;2,3,4-trimethylpentan-3-yl acetate
CID 87190054
methanol;2-methylpropan-2-ol;bis(propan-2-ol)
CID 173031794

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethylbutan-2-ol;2,3-dimethylbut-2-ene;hydrate?
The IUPAC name of 2,3-dimethylbutan-2-ol;2,3-dimethylbut-2-ene;hydrate (CID 157467331) is 2,3-dimethylbutan-2-ol;2,3-dimethylbut-2-ene;hydrate.
What is the SMILES notation for 2,3-dimethylbutan-2-ol;2,3-dimethylbut-2-ene;hydrate?
The canonical SMILES for 2,3-dimethylbutan-2-ol;2,3-dimethylbut-2-ene;hydrate is CC(C)=C(C)C.CC(C)C(C)(C)O.O.
What is the InChIKey of 2,3-dimethylbutan-2-ol;2,3-dimethylbut-2-ene;hydrate?
The InChIKey is FOLITXRVGGMWOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14O.C6H12.H2O/c1-5(2)6(3,4)7;1-5(2)6(3)4;/h5,7H,1-4H3;1-4H3;1H2.
What are the key properties of 2,3-dimethylbutan-2-ol;2,3-dimethylbut-2-ene;hydrate?
2,3-dimethylbutan-2-ol;2,3-dimethylbut-2-ene;hydrate has a molecular weight of 204.35 g/mol, XLogP of 2.95, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethylbutan-2-ol;2,3-dimethylbut-2-ene;hydrate is sourced from PubChem (CID 157467331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).