2,2-di(methyl)propan-1-ol

C5H10O+2 — CID 135993184

IUPAC2,2-di(methyl)propan-1-ol
SMILES[CH2+]C([CH2+])(C)CO
InChIInChI=1S/C5H10O/c1-5(2,3)4-6/h6H,1-2,4H2,3H3/q+2
InChIKeyPLSGSQMNIIQUOK-UHFFFAOYSA-N
MW86.13 g/mol
LogP0.65
Rot. Bonds1

About 2,2-di(methyl)propan-1-ol

2,2-di(methyl)propan-1-ol (PubChem CID 135993184) has the molecular formula C5H10O+2 and a molecular weight of 86.13 g/mol. Its IUPAC name is 2,2-di(methyl)propan-1-ol.

Molecular Properties

Compound Name2,2-di(methyl)propan-1-ol
PubChem CID135993184
Molecular FormulaC5H10O+2
Molecular Weight86.13 g/mol
Exact Mass86.07
IUPAC Name2,2-di(methyl)propan-1-ol
SMILES[CH2+]C([CH2+])(C)CO
InChIInChI=1S/C5H10O/c1-5(2,3)4-6/h6H,1-2,4H2,3H3/q+2
InChIKeyPLSGSQMNIIQUOK-UHFFFAOYSA-N
XLogP0.65
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50086.13
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

alumane;2,2-dimethylpropan-1-ol
CID 174479314
2-(hydroxymethyl)-2-methylpropane-1,3-diol
CID 118432348
3-methyl-3-methylbutan-1-ol
CID 23523624
2-methyl-2-(trifluoromethyl)propane-1,3-diol
CID 118400148
CID 87364467
CID 87364467
2,2-bis(hydroxymethyl)propane-1,3-diol;2,2-dimethylpropane
CID 157350267
2,2-dimethylpropane-1,3-diol;hydrobromide
CID 162005939
sodium;2,2-dimethylpropan-1-ol;hydride
CID 174669308
azane;2-(hydroxymethyl)-2-methylpropane-1,3-diol
CID 88666778
2,2-dimethylpropane-1,3-diol;dihydrochloride
CID 172807554
(2S,3S)-2,3-dimethylbutane-1,2,3,4-tetrol
CID 130718714
2,3-dimethylbutane-1,2,3,4-tetrol
CID 130147728

Frequently Asked Questions

What is the IUPAC name of 2,2-di(methyl)propan-1-ol?
The IUPAC name of 2,2-di(methyl)propan-1-ol (CID 135993184) is 2,2-di(methyl)propan-1-ol.
What is the SMILES notation for 2,2-di(methyl)propan-1-ol?
The canonical SMILES for 2,2-di(methyl)propan-1-ol is [CH2+]C([CH2+])(C)CO.
What is the InChIKey of 2,2-di(methyl)propan-1-ol?
The InChIKey is PLSGSQMNIIQUOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10O/c1-5(2,3)4-6/h6H,1-2,4H2,3H3/q+2.
What are the key properties of 2,2-di(methyl)propan-1-ol?
2,2-di(methyl)propan-1-ol has a molecular weight of 86.13 g/mol, XLogP of 0.65, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-di(methyl)propan-1-ol is sourced from PubChem (CID 135993184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).