2-(6-methylhepta-2,5-dien-2-yl)oxirene

C10H14O — CID 54175100

IUPAC2-(6-methylhepta-2,5-dien-2-yl)oxirene
SMILESCC(C)=CCC=C(C)C1=CO1
InChIInChI=1S/C10H14O/c1-8(2)5-4-6-9(3)10-7-11-10/h5-7H,4H2,1-3H3
InChIKeyOXSVSCUKFLMJQR-UHFFFAOYSA-N
MW150.22 g/mol
LogP3.16
Rot. Bonds3

About 2-(6-methylhepta-2,5-dien-2-yl)oxirene

2-(6-methylhepta-2,5-dien-2-yl)oxirene (PubChem CID 54175100) has the molecular formula C10H14O and a molecular weight of 150.22 g/mol. Its IUPAC name is 2-(6-methylhepta-2,5-dien-2-yl)oxirene.

Molecular Properties

Compound Name2-(6-methylhepta-2,5-dien-2-yl)oxirene
PubChem CID54175100
Molecular FormulaC10H14O
Molecular Weight150.22 g/mol
Exact Mass150.10
IUPAC Name2-(6-methylhepta-2,5-dien-2-yl)oxirene
SMILESCC(C)=CCC=C(C)C1=CO1
InChIInChI=1S/C10H14O/c1-8(2)5-4-6-9(3)10-7-11-10/h5-7H,4H2,1-3H3
InChIKeyOXSVSCUKFLMJQR-UHFFFAOYSA-N
XLogP3.16
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.22
LogP ≤ 53.16
H-Bond Donors ≤ 50
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-(6-methylhepta-2,5-dien-2-yl)oxirene?
The IUPAC name of 2-(6-methylhepta-2,5-dien-2-yl)oxirene (CID 54175100) is 2-(6-methylhepta-2,5-dien-2-yl)oxirene.
What is the SMILES notation for 2-(6-methylhepta-2,5-dien-2-yl)oxirene?
The canonical SMILES for 2-(6-methylhepta-2,5-dien-2-yl)oxirene is CC(C)=CCC=C(C)C1=CO1.
What is the InChIKey of 2-(6-methylhepta-2,5-dien-2-yl)oxirene?
The InChIKey is OXSVSCUKFLMJQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O/c1-8(2)5-4-6-9(3)10-7-11-10/h5-7H,4H2,1-3H3.
What are the key properties of 2-(6-methylhepta-2,5-dien-2-yl)oxirene?
2-(6-methylhepta-2,5-dien-2-yl)oxirene has a molecular weight of 150.22 g/mol, XLogP of 3.16, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-methylhepta-2,5-dien-2-yl)oxirene is sourced from PubChem (CID 54175100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).