2-[(E)-6-methylhept-3-enyl]oxirane

C10H18O — CID 119082338

IUPAC2-[(E)-6-methylhept-3-enyl]oxirane
SMILESCC(C)C/C=C/CCC1CO1
InChIInChI=1S/C10H18O/c1-9(2)6-4-3-5-7-10-8-11-10/h3-4,9-10H,5-8H2,1-2H3/b4-3+
InChIKeyHBZQWZRMETUPQN-ONEGZZNKSA-N
MW154.25 g/mol
LogP2.77
Rot. Bonds5

About 2-[(E)-6-methylhept-3-enyl]oxirane

2-[(E)-6-methylhept-3-enyl]oxirane (PubChem CID 119082338) has the molecular formula C10H18O and a molecular weight of 154.25 g/mol. Its IUPAC name is 2-[(E)-6-methylhept-3-enyl]oxirane.

Molecular Properties

Compound Name2-[(E)-6-methylhept-3-enyl]oxirane
PubChem CID119082338
Molecular FormulaC10H18O
Molecular Weight154.25 g/mol
Exact Mass154.14
IUPAC Name2-[(E)-6-methylhept-3-enyl]oxirane
SMILESCC(C)C/C=C/CCC1CO1
InChIInChI=1S/C10H18O/c1-9(2)6-4-3-5-7-10-8-11-10/h3-4,9-10H,5-8H2,1-2H3/b4-3+
InChIKeyHBZQWZRMETUPQN-ONEGZZNKSA-N
XLogP2.77
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.25
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 2-[(E)-6-methylhept-3-enyl]oxirane?
The IUPAC name of 2-[(E)-6-methylhept-3-enyl]oxirane (CID 119082338) is 2-[(E)-6-methylhept-3-enyl]oxirane.
What is the SMILES notation for 2-[(E)-6-methylhept-3-enyl]oxirane?
The canonical SMILES for 2-[(E)-6-methylhept-3-enyl]oxirane is CC(C)C/C=C/CCC1CO1.
What is the InChIKey of 2-[(E)-6-methylhept-3-enyl]oxirane?
The InChIKey is HBZQWZRMETUPQN-ONEGZZNKSA-N. The full InChI is InChI=1S/C10H18O/c1-9(2)6-4-3-5-7-10-8-11-10/h3-4,9-10H,5-8H2,1-2H3/b4-3+.
What are the key properties of 2-[(E)-6-methylhept-3-enyl]oxirane?
2-[(E)-6-methylhept-3-enyl]oxirane has a molecular weight of 154.25 g/mol, XLogP of 2.77, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-6-methylhept-3-enyl]oxirane is sourced from PubChem (CID 119082338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).