2,2-dimethyl-3-(3-methylpent-4-enyl)oxirane

C10H18O — CID 527249

IUPAC2,2-dimethyl-3-(3-methylpent-4-enyl)oxirane
SMILESC=CC(C)CCC1OC1(C)C
InChIInChI=1S/C10H18O/c1-5-8(2)6-7-9-10(3,4)11-9/h5,8-9H,1,6-7H2,2-4H3
InChIKeyIQTYEDULQISSGT-UHFFFAOYSA-N
MW154.25 g/mol
LogP2.77
Rot. Bonds4

About 2,2-dimethyl-3-(3-methylpent-4-enyl)oxirane

2,2-dimethyl-3-(3-methylpent-4-enyl)oxirane (PubChem CID 527249) has the molecular formula C10H18O and a molecular weight of 154.25 g/mol. Its IUPAC name is 2,2-dimethyl-3-(3-methylpent-4-enyl)oxirane.

Molecular Properties

Compound Name2,2-dimethyl-3-(3-methylpent-4-enyl)oxirane
PubChem CID527249
Molecular FormulaC10H18O
Molecular Weight154.25 g/mol
Exact Mass154.14
IUPAC Name2,2-dimethyl-3-(3-methylpent-4-enyl)oxirane
SMILESC=CC(C)CCC1OC1(C)C
InChIInChI=1S/C10H18O/c1-5-8(2)6-7-9-10(3,4)11-9/h5,8-9H,1,6-7H2,2-4H3
InChIKeyIQTYEDULQISSGT-UHFFFAOYSA-N
XLogP2.77
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
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 2,2-dimethyl-3-(3-methylpent-4-enyl)oxirane?
The IUPAC name of 2,2-dimethyl-3-(3-methylpent-4-enyl)oxirane (CID 527249) is 2,2-dimethyl-3-(3-methylpent-4-enyl)oxirane.
What is the SMILES notation for 2,2-dimethyl-3-(3-methylpent-4-enyl)oxirane?
The canonical SMILES for 2,2-dimethyl-3-(3-methylpent-4-enyl)oxirane is C=CC(C)CCC1OC1(C)C.
What is the InChIKey of 2,2-dimethyl-3-(3-methylpent-4-enyl)oxirane?
The InChIKey is IQTYEDULQISSGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O/c1-5-8(2)6-7-9-10(3,4)11-9/h5,8-9H,1,6-7H2,2-4H3.
What are the key properties of 2,2-dimethyl-3-(3-methylpent-4-enyl)oxirane?
2,2-dimethyl-3-(3-methylpent-4-enyl)oxirane has a molecular weight of 154.25 g/mol, XLogP of 2.77, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-(3-methylpent-4-enyl)oxirane is sourced from PubChem (CID 527249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).