2-[(3E)-2,2-dimethylhexa-3,5-dienyl]oxirane

C10H16O — CID 102076034

IUPAC2-[(3E)-2,2-dimethylhexa-3,5-dienyl]oxirane
SMILESC=C/C=C/C(C)(C)CC1CO1
InChIInChI=1S/C10H16O/c1-4-5-6-10(2,3)7-9-8-11-9/h4-6,9H,1,7-8H2,2-3H3/b6-5+
InChIKeyFKLQCZOWZNQXBO-AATRIKPKSA-N
MW152.24 g/mol
LogP2.54
Rot. Bonds4

About 2-[(3E)-2,2-dimethylhexa-3,5-dienyl]oxirane

2-[(3E)-2,2-dimethylhexa-3,5-dienyl]oxirane (PubChem CID 102076034) has the molecular formula C10H16O and a molecular weight of 152.24 g/mol. Its IUPAC name is 2-[(3E)-2,2-dimethylhexa-3,5-dienyl]oxirane.

Molecular Properties

Compound Name2-[(3E)-2,2-dimethylhexa-3,5-dienyl]oxirane
PubChem CID102076034
Molecular FormulaC10H16O
Molecular Weight152.24 g/mol
Exact Mass152.12
IUPAC Name2-[(3E)-2,2-dimethylhexa-3,5-dienyl]oxirane
SMILESC=C/C=C/C(C)(C)CC1CO1
InChIInChI=1S/C10H16O/c1-4-5-6-10(2,3)7-9-8-11-9/h4-6,9H,1,7-8H2,2-3H3/b6-5+
InChIKeyFKLQCZOWZNQXBO-AATRIKPKSA-N
XLogP2.54
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', '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-[(3E)-2,2-dimethylhexa-3,5-dienyl]oxirane?
The IUPAC name of 2-[(3E)-2,2-dimethylhexa-3,5-dienyl]oxirane (CID 102076034) is 2-[(3E)-2,2-dimethylhexa-3,5-dienyl]oxirane.
What is the SMILES notation for 2-[(3E)-2,2-dimethylhexa-3,5-dienyl]oxirane?
The canonical SMILES for 2-[(3E)-2,2-dimethylhexa-3,5-dienyl]oxirane is C=C/C=C/C(C)(C)CC1CO1.
What is the InChIKey of 2-[(3E)-2,2-dimethylhexa-3,5-dienyl]oxirane?
The InChIKey is FKLQCZOWZNQXBO-AATRIKPKSA-N. The full InChI is InChI=1S/C10H16O/c1-4-5-6-10(2,3)7-9-8-11-9/h4-6,9H,1,7-8H2,2-3H3/b6-5+.
What are the key properties of 2-[(3E)-2,2-dimethylhexa-3,5-dienyl]oxirane?
2-[(3E)-2,2-dimethylhexa-3,5-dienyl]oxirane has a molecular weight of 152.24 g/mol, XLogP of 2.54, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3E)-2,2-dimethylhexa-3,5-dienyl]oxirane is sourced from PubChem (CID 102076034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).