2,2-dimethyl-3-pent-4-enyloxirane

C9H16O — CID 11263534

IUPAC2,2-dimethyl-3-pent-4-enyloxirane
SMILESC=CCCCC1OC1(C)C
InChIInChI=1S/C9H16O/c1-4-5-6-7-8-9(2,3)10-8/h4,8H,1,5-7H2,2-3H3
InChIKeyTVAVXNPYPOKUIW-UHFFFAOYSA-N
MW140.23 g/mol
LogP2.52
Rot. Bonds4

About 2,2-dimethyl-3-pent-4-enyloxirane

2,2-dimethyl-3-pent-4-enyloxirane (PubChem CID 11263534) has the molecular formula C9H16O and a molecular weight of 140.23 g/mol. Its IUPAC name is 2,2-dimethyl-3-pent-4-enyloxirane.

Molecular Properties

Compound Name2,2-dimethyl-3-pent-4-enyloxirane
PubChem CID11263534
Molecular FormulaC9H16O
Molecular Weight140.23 g/mol
Exact Mass140.12
IUPAC Name2,2-dimethyl-3-pent-4-enyloxirane
SMILESC=CCCCC1OC1(C)C
InChIInChI=1S/C9H16O/c1-4-5-6-7-8-9(2,3)10-8/h4,8H,1,5-7H2,2-3H3
InChIKeyTVAVXNPYPOKUIW-UHFFFAOYSA-N
XLogP2.52
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.23
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-pent-4-enyloxirane?
The IUPAC name of 2,2-dimethyl-3-pent-4-enyloxirane (CID 11263534) is 2,2-dimethyl-3-pent-4-enyloxirane.
What is the SMILES notation for 2,2-dimethyl-3-pent-4-enyloxirane?
The canonical SMILES for 2,2-dimethyl-3-pent-4-enyloxirane is C=CCCCC1OC1(C)C.
What is the InChIKey of 2,2-dimethyl-3-pent-4-enyloxirane?
The InChIKey is TVAVXNPYPOKUIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O/c1-4-5-6-7-8-9(2,3)10-8/h4,8H,1,5-7H2,2-3H3.
What are the key properties of 2,2-dimethyl-3-pent-4-enyloxirane?
2,2-dimethyl-3-pent-4-enyloxirane has a molecular weight of 140.23 g/mol, XLogP of 2.52, 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-pent-4-enyloxirane is sourced from PubChem (CID 11263534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).