3-methylbut-2-en-1-ol;2-methylprop-1-ene

C9H18O — CID 87257087

IUPAC3-methylbut-2-en-1-ol;2-methylprop-1-ene
SMILESC=C(C)C.CC(C)=CCO
InChIInChI=1S/C5H10O.C4H8/c1-5(2)3-4-6;1-4(2)3/h3,6H,4H2,1-2H3;1H2,2-3H3
InChIKeyOZNRMZXQBCNHPX-UHFFFAOYSA-N
MW142.24 g/mol
LogP2.53
Rot. Bonds1

About 3-methylbut-2-en-1-ol;2-methylprop-1-ene

3-methylbut-2-en-1-ol;2-methylprop-1-ene (PubChem CID 87257087) has the molecular formula C9H18O and a molecular weight of 142.24 g/mol. Its IUPAC name is 3-methylbut-2-en-1-ol;2-methylprop-1-ene.

Molecular Properties

Compound Name3-methylbut-2-en-1-ol;2-methylprop-1-ene
PubChem CID87257087
Molecular FormulaC9H18O
Molecular Weight142.24 g/mol
Exact Mass142.14
IUPAC Name3-methylbut-2-en-1-ol;2-methylprop-1-ene
SMILESC=C(C)C.CC(C)=CCO
InChIInChI=1S/C5H10O.C4H8/c1-5(2)3-4-6;1-4(2)3/h3,6H,4H2,1-2H3;1H2,2-3H3
InChIKeyOZNRMZXQBCNHPX-UHFFFAOYSA-N
XLogP2.53
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.24
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-methylbut-2-en-1-ol;2-methylprop-1-ene?
The IUPAC name of 3-methylbut-2-en-1-ol;2-methylprop-1-ene (CID 87257087) is 3-methylbut-2-en-1-ol;2-methylprop-1-ene.
What is the SMILES notation for 3-methylbut-2-en-1-ol;2-methylprop-1-ene?
The canonical SMILES for 3-methylbut-2-en-1-ol;2-methylprop-1-ene is C=C(C)C.CC(C)=CCO.
What is the InChIKey of 3-methylbut-2-en-1-ol;2-methylprop-1-ene?
The InChIKey is OZNRMZXQBCNHPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10O.C4H8/c1-5(2)3-4-6;1-4(2)3/h3,6H,4H2,1-2H3;1H2,2-3H3.
What are the key properties of 3-methylbut-2-en-1-ol;2-methylprop-1-ene?
3-methylbut-2-en-1-ol;2-methylprop-1-ene has a molecular weight of 142.24 g/mol, XLogP of 2.53, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylbut-2-en-1-ol;2-methylprop-1-ene is sourced from PubChem (CID 87257087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).