2-[(Z)-3-methylhex-1-enyl]-3-[(Z)-3-methylpent-3-enyl]oxirane

C15H26O — CID 89103277

IUPAC2-[(Z)-3-methylhex-1-enyl]-3-[(Z)-3-methylpent-3-enyl]oxirane
SMILESC/C=C(/C)CCC1OC1/C=C\C(C)CCC
InChIInChI=1S/C15H26O/c1-5-7-13(4)9-11-15-14(16-15)10-8-12(3)6-2/h6,9,11,13-15H,5,7-8,10H2,1-4H3/b11-9-,12-6-
InChIKeyRUVNWYYUXMMXGP-QPRCWUMCSA-N
MW222.37 g/mol
LogP4.49
Rot. Bonds7

About 2-[(Z)-3-methylhex-1-enyl]-3-[(Z)-3-methylpent-3-enyl]oxirane

2-[(Z)-3-methylhex-1-enyl]-3-[(Z)-3-methylpent-3-enyl]oxirane (PubChem CID 89103277) has the molecular formula C15H26O and a molecular weight of 222.37 g/mol. Its IUPAC name is 2-[(Z)-3-methylhex-1-enyl]-3-[(Z)-3-methylpent-3-enyl]oxirane.

Molecular Properties

Compound Name2-[(Z)-3-methylhex-1-enyl]-3-[(Z)-3-methylpent-3-enyl]oxirane
PubChem CID89103277
Molecular FormulaC15H26O
Molecular Weight222.37 g/mol
Exact Mass222.20
IUPAC Name2-[(Z)-3-methylhex-1-enyl]-3-[(Z)-3-methylpent-3-enyl]oxirane
SMILESC/C=C(/C)CCC1OC1/C=C\C(C)CCC
InChIInChI=1S/C15H26O/c1-5-7-13(4)9-11-15-14(16-15)10-8-12(3)6-2/h6,9,11,13-15H,5,7-8,10H2,1-4H3/b11-9-,12-6-
InChIKeyRUVNWYYUXMMXGP-QPRCWUMCSA-N
XLogP4.49
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.37
LogP ≤ 54.49
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-[(Z)-3-methylhex-1-enyl]-3-[(Z)-3-methylpent-3-enyl]oxirane?
The IUPAC name of 2-[(Z)-3-methylhex-1-enyl]-3-[(Z)-3-methylpent-3-enyl]oxirane (CID 89103277) is 2-[(Z)-3-methylhex-1-enyl]-3-[(Z)-3-methylpent-3-enyl]oxirane.
What is the SMILES notation for 2-[(Z)-3-methylhex-1-enyl]-3-[(Z)-3-methylpent-3-enyl]oxirane?
The canonical SMILES for 2-[(Z)-3-methylhex-1-enyl]-3-[(Z)-3-methylpent-3-enyl]oxirane is C/C=C(/C)CCC1OC1/C=C\C(C)CCC.
What is the InChIKey of 2-[(Z)-3-methylhex-1-enyl]-3-[(Z)-3-methylpent-3-enyl]oxirane?
The InChIKey is RUVNWYYUXMMXGP-QPRCWUMCSA-N. The full InChI is InChI=1S/C15H26O/c1-5-7-13(4)9-11-15-14(16-15)10-8-12(3)6-2/h6,9,11,13-15H,5,7-8,10H2,1-4H3/b11-9-,12-6-.
What are the key properties of 2-[(Z)-3-methylhex-1-enyl]-3-[(Z)-3-methylpent-3-enyl]oxirane?
2-[(Z)-3-methylhex-1-enyl]-3-[(Z)-3-methylpent-3-enyl]oxirane has a molecular weight of 222.37 g/mol, XLogP of 4.49, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-3-methylhex-1-enyl]-3-[(Z)-3-methylpent-3-enyl]oxirane is sourced from PubChem (CID 89103277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).