4-methyl-1-(oxiran-2-yl)pent-4-en-1-ol

C8H14O2 — CID 23045439

IUPAC4-methyl-1-(oxiran-2-yl)pent-4-en-1-ol
SMILESC=C(C)CCC(O)C1CO1
InChIInChI=1S/C8H14O2/c1-6(2)3-4-7(9)8-5-10-8/h7-9H,1,3-5H2,2H3
InChIKeyJZPRBYSSRWKIJJ-UHFFFAOYSA-N
MW142.20 g/mol
LogP1.10
Rot. Bonds4

About 4-methyl-1-(oxiran-2-yl)pent-4-en-1-ol

4-methyl-1-(oxiran-2-yl)pent-4-en-1-ol (PubChem CID 23045439) has the molecular formula C8H14O2 and a molecular weight of 142.20 g/mol. Its IUPAC name is 4-methyl-1-(oxiran-2-yl)pent-4-en-1-ol.

Molecular Properties

Compound Name4-methyl-1-(oxiran-2-yl)pent-4-en-1-ol
PubChem CID23045439
Molecular FormulaC8H14O2
Molecular Weight142.20 g/mol
Exact Mass142.10
IUPAC Name4-methyl-1-(oxiran-2-yl)pent-4-en-1-ol
SMILESC=C(C)CCC(O)C1CO1
InChIInChI=1S/C8H14O2/c1-6(2)3-4-7(9)8-5-10-8/h7-9H,1,3-5H2,2H3
InChIKeyJZPRBYSSRWKIJJ-UHFFFAOYSA-N
XLogP1.10
TPSA32.76 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.20
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-(oxiran-2-yl)pent-4-en-1-ol?
The IUPAC name of 4-methyl-1-(oxiran-2-yl)pent-4-en-1-ol (CID 23045439) is 4-methyl-1-(oxiran-2-yl)pent-4-en-1-ol.
What is the SMILES notation for 4-methyl-1-(oxiran-2-yl)pent-4-en-1-ol?
The canonical SMILES for 4-methyl-1-(oxiran-2-yl)pent-4-en-1-ol is C=C(C)CCC(O)C1CO1.
What is the InChIKey of 4-methyl-1-(oxiran-2-yl)pent-4-en-1-ol?
The InChIKey is JZPRBYSSRWKIJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O2/c1-6(2)3-4-7(9)8-5-10-8/h7-9H,1,3-5H2,2H3.
What are the key properties of 4-methyl-1-(oxiran-2-yl)pent-4-en-1-ol?
4-methyl-1-(oxiran-2-yl)pent-4-en-1-ol has a molecular weight of 142.20 g/mol, XLogP of 1.10, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-(oxiran-2-yl)pent-4-en-1-ol is sourced from PubChem (CID 23045439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).