bis(2,3,3-trimethylbutan-2-ol);hydrate

C14H34O3 — CID 71347639

IUPACbis(2,3,3-trimethylbutan-2-ol);hydrate
SMILESCC(C)(C)C(C)(C)O.CC(C)(C)C(C)(C)O.O
InChIInChI=1S/2C7H16O.H2O/c2*1-6(2,3)7(4,5)8;/h2*8H,1-5H3;1H2
InChIKeyBBTQUAPFQAHORQ-UHFFFAOYSA-N
MW250.42 g/mol
LogP2.78
Rot. Bonds

About bis(2,3,3-trimethylbutan-2-ol);hydrate

bis(2,3,3-trimethylbutan-2-ol);hydrate (PubChem CID 71347639) has the molecular formula C14H34O3 and a molecular weight of 250.42 g/mol. Its IUPAC name is bis(2,3,3-trimethylbutan-2-ol);hydrate.

Molecular Properties

Compound Namebis(2,3,3-trimethylbutan-2-ol);hydrate
PubChem CID71347639
Molecular FormulaC14H34O3
Molecular Weight250.42 g/mol
Exact Mass250.25
IUPAC Namebis(2,3,3-trimethylbutan-2-ol);hydrate
SMILESCC(C)(C)C(C)(C)O.CC(C)(C)C(C)(C)O.O
InChIInChI=1S/2C7H16O.H2O/c2*1-6(2,3)7(4,5)8;/h2*8H,1-5H3;1H2
InChIKeyBBTQUAPFQAHORQ-UHFFFAOYSA-N
XLogP2.78
TPSA71.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.42
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze bis(2,3,3-trimethylbutan-2-ol);hydrate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,1,1-trifluoro-2,2-dimethylpropane;2,3,3-trimethylbutan-2-ol
CID 167694152
2,3-dimethylbutane-2,3-diol;hydrobromide
CID 175354079
bis(1,1,1-trichloro-2-methylpropan-2-ol);hydrate
CID 5284505
2,2,4,4-tetramethylpentane-3,3-diol
CID 15388293
boric acid;bis(2,3-dimethylbutane-2,3-diol)
CID 87113671
2,3,3,4,4,5,5,6-octamethylheptane-2,6-diol
CID 155249648
2-methyl-3-silylbutane-2,3-diol
CID 174482175
2-methyl-3-methylbutane-2,3-diol
CID 161412790
methane;2-methylpropan-2-ol
CID 157161859
2-methylpropan-2-ol;neodymium
CID 154348927
2-methylpropan-2-ol;molybdenum
CID 174435313
tetrakis(2-methylpropan-2-ol);titanium
CID 174053389

Frequently Asked Questions

What is the IUPAC name of bis(2,3,3-trimethylbutan-2-ol);hydrate?
The IUPAC name of bis(2,3,3-trimethylbutan-2-ol);hydrate (CID 71347639) is bis(2,3,3-trimethylbutan-2-ol);hydrate.
What is the SMILES notation for bis(2,3,3-trimethylbutan-2-ol);hydrate?
The canonical SMILES for bis(2,3,3-trimethylbutan-2-ol);hydrate is CC(C)(C)C(C)(C)O.CC(C)(C)C(C)(C)O.O.
What is the InChIKey of bis(2,3,3-trimethylbutan-2-ol);hydrate?
The InChIKey is BBTQUAPFQAHORQ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C7H16O.H2O/c2*1-6(2,3)7(4,5)8;/h2*8H,1-5H3;1H2.
What are the key properties of bis(2,3,3-trimethylbutan-2-ol);hydrate?
bis(2,3,3-trimethylbutan-2-ol);hydrate has a molecular weight of 250.42 g/mol, XLogP of 2.78, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2,3,3-trimethylbutan-2-ol);hydrate is sourced from PubChem (CID 71347639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).