3-methylbut-3-en-1-ol

C5H10O — CID 12988

IUPAC3-methylbut-3-en-1-ol
SMILESC=C(C)CCO
InChIInChI=1S/C5H10O/c1-5(2)3-4-6/h6H,1,3-4H2,2H3
InChIKeyCPJRRXSHAYUTGL-UHFFFAOYSA-N
MW86.13 g/mol
LogP0.94
Rot. Bonds2

About 3-methylbut-3-en-1-ol

3-methylbut-3-en-1-ol (PubChem CID 12988) has the molecular formula C5H10O and a molecular weight of 86.13 g/mol. Its IUPAC name is 3-methylbut-3-en-1-ol.

Molecular Properties

Compound Name3-methylbut-3-en-1-ol
PubChem CID12988
Molecular FormulaC5H10O
Molecular Weight86.13 g/mol
Exact Mass86.07
IUPAC Name3-methylbut-3-en-1-ol
SMILESC=C(C)CCO
InChIInChI=1S/C5H10O/c1-5(2)3-4-6/h6H,1,3-4H2,2H3
InChIKeyCPJRRXSHAYUTGL-UHFFFAOYSA-N
XLogP0.94
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50086.13
LogP ≤ 50.94
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

4-Penten-2-ol, 4-methyl-
CID 102730
3-Penten-1-ol, 3-methyl-
CID 5362800
3-Methylenepentan-1-ol
CID 12544003
2-Methylenebutan-1-ol
CID 10374415
3,4-Hexadien-1-ol, 5-methyl-
CID 10630457
3,4-Pentadien-1-ol, 3-methyl-
CID 12294264
2,3-Dimethylbut-3-en-1-ol
CID 12603472
4-Methyl-4-penten-1-ol
CID 89737
2,2-Difluoro-3-methylbut-3-en-1-ol
CID 13300551
3-(Fluoromethyl)but-3-en-1-ol
CID 71333292
(E)-4-iodo-3-methylbut-3-en-1-ol
CID 6443116
3-Methylpent-2-en-5-ol
CID 74365

Frequently Asked Questions

What is the IUPAC name of 3-methylbut-3-en-1-ol?
The IUPAC name of 3-methylbut-3-en-1-ol (CID 12988) is 3-methylbut-3-en-1-ol.
What is the SMILES notation for 3-methylbut-3-en-1-ol?
The canonical SMILES for 3-methylbut-3-en-1-ol is C=C(C)CCO.
What is the InChIKey of 3-methylbut-3-en-1-ol?
The InChIKey is CPJRRXSHAYUTGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10O/c1-5(2)3-4-6/h6H,1,3-4H2,2H3.
What are the key properties of 3-methylbut-3-en-1-ol?
3-methylbut-3-en-1-ol has a molecular weight of 86.13 g/mol, XLogP of 0.94, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylbut-3-en-1-ol is sourced from PubChem (CID 12988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).