2-methylpent-1-en-3-ol

C6H12O — CID 16399

IUPAC2-methylpent-1-en-3-ol
SMILESC=C(C)C(O)CC
InChIInChI=1S/C6H12O/c1-4-6(7)5(2)3/h6-7H,2,4H2,1,3H3
InChIKeyDHNPVHJGKASNBQ-UHFFFAOYSA-N
MW100.16 g/mol
LogP1.33
Rot. Bonds2

About 2-methylpent-1-en-3-ol

2-methylpent-1-en-3-ol (PubChem CID 16399) has the molecular formula C6H12O and a molecular weight of 100.16 g/mol. Its IUPAC name is 2-methylpent-1-en-3-ol.

Molecular Properties

Compound Name2-methylpent-1-en-3-ol
PubChem CID16399
Molecular FormulaC6H12O
Molecular Weight100.16 g/mol
Exact Mass100.09
IUPAC Name2-methylpent-1-en-3-ol
SMILESC=C(C)C(O)CC
InChIInChI=1S/C6H12O/c1-4-6(7)5(2)3/h6-7H,2,4H2,1,3H3
InChIKeyDHNPVHJGKASNBQ-UHFFFAOYSA-N
XLogP1.33
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500100.16
LogP ≤ 51.33
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 2-methylpent-1-en-3-ol?
The IUPAC name of 2-methylpent-1-en-3-ol (CID 16399) is 2-methylpent-1-en-3-ol.
What is the SMILES notation for 2-methylpent-1-en-3-ol?
The canonical SMILES for 2-methylpent-1-en-3-ol is C=C(C)C(O)CC.
What is the InChIKey of 2-methylpent-1-en-3-ol?
The InChIKey is DHNPVHJGKASNBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12O/c1-4-6(7)5(2)3/h6-7H,2,4H2,1,3H3.
What are the key properties of 2-methylpent-1-en-3-ol?
2-methylpent-1-en-3-ol has a molecular weight of 100.16 g/mol, XLogP of 1.33, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpent-1-en-3-ol is sourced from PubChem (CID 16399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).