2-methylprop-2-en-1-ol;hydrate

C4H10O2 — CID 131719387

IUPAC2-methylprop-2-en-1-ol;hydrate
SMILESC=C(C)CO.O
InChIInChI=1S/C4H8O.H2O/c1-4(2)3-5;/h5H,1,3H2,2H3;1H2
InChIKeyIVYQTTTWYUUNRJ-UHFFFAOYSA-N
MW90.12 g/mol
LogP-0.27
Rot. Bonds1

About 2-methylprop-2-en-1-ol;hydrate

2-methylprop-2-en-1-ol;hydrate (PubChem CID 131719387) has the molecular formula C4H10O2 and a molecular weight of 90.12 g/mol. Its IUPAC name is 2-methylprop-2-en-1-ol;hydrate.

Molecular Properties

Compound Name2-methylprop-2-en-1-ol;hydrate
PubChem CID131719387
Molecular FormulaC4H10O2
Molecular Weight90.12 g/mol
Exact Mass90.07
IUPAC Name2-methylprop-2-en-1-ol;hydrate
SMILESC=C(C)CO.O
InChIInChI=1S/C4H8O.H2O/c1-4(2)3-5;/h5H,1,3H2,2H3;1H2
InChIKeyIVYQTTTWYUUNRJ-UHFFFAOYSA-N
XLogP-0.27
TPSA51.73 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50090.12
LogP ≤ 5-0.27
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-Methyl-2-buten-1-OL
CID 6433417
Methallyl alcohol
CID 10557
2-Methylbut-2-en-1-ol, (2Z)-
CID 5366266
1,3-Propanediol, 2-methylene-
CID 77048
2-Methylenebutan-1-ol
CID 10374415
2-Methylbut-2-en-1-ol
CID 20799
(2Z)-2-methylbut-2-ene-1,4-diol
CID 12778451
E-2-methyl-2-butene-1,4-diol
CID 12778450
2-Methylbut-2-ene-1,4-diol
CID 53806232
Ctk0J5093
CID 10261052
2-Ethylidene-propane-1,3-diol
CID 11073358
2-Methylbuta-2,3-dien-1-ol
CID 12502940

Frequently Asked Questions

What is the IUPAC name of 2-methylprop-2-en-1-ol;hydrate?
The IUPAC name of 2-methylprop-2-en-1-ol;hydrate (CID 131719387) is 2-methylprop-2-en-1-ol;hydrate.
What is the SMILES notation for 2-methylprop-2-en-1-ol;hydrate?
The canonical SMILES for 2-methylprop-2-en-1-ol;hydrate is C=C(C)CO.O.
What is the InChIKey of 2-methylprop-2-en-1-ol;hydrate?
The InChIKey is IVYQTTTWYUUNRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8O.H2O/c1-4(2)3-5;/h5H,1,3H2,2H3;1H2.
What are the key properties of 2-methylprop-2-en-1-ol;hydrate?
2-methylprop-2-en-1-ol;hydrate has a molecular weight of 90.12 g/mol, XLogP of -0.27, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylprop-2-en-1-ol;hydrate is sourced from PubChem (CID 131719387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).