2-(2,2,4,4-tetramethylhex-5-enyl)oxirane

C12H22O — CID 121263342

IUPAC2-(2,2,4,4-tetramethylhex-5-enyl)oxirane
SMILESC=CC(C)(C)CC(C)(C)CC1CO1
InChIInChI=1S/C12H22O/c1-6-11(2,3)9-12(4,5)7-10-8-13-10/h6,10H,1,7-9H2,2-5H3
InChIKeyKYDSOEYISVIGNU-UHFFFAOYSA-N
MW182.31 g/mol
LogP3.40
Rot. Bonds5

About 2-(2,2,4,4-tetramethylhex-5-enyl)oxirane

2-(2,2,4,4-tetramethylhex-5-enyl)oxirane (PubChem CID 121263342) has the molecular formula C12H22O and a molecular weight of 182.31 g/mol. Its IUPAC name is 2-(2,2,4,4-tetramethylhex-5-enyl)oxirane.

Molecular Properties

Compound Name2-(2,2,4,4-tetramethylhex-5-enyl)oxirane
PubChem CID121263342
Molecular FormulaC12H22O
Molecular Weight182.31 g/mol
Exact Mass182.17
IUPAC Name2-(2,2,4,4-tetramethylhex-5-enyl)oxirane
SMILESC=CC(C)(C)CC(C)(C)CC1CO1
InChIInChI=1S/C12H22O/c1-6-11(2,3)9-12(4,5)7-10-8-13-10/h6,10H,1,7-9H2,2-5H3
InChIKeyKYDSOEYISVIGNU-UHFFFAOYSA-N
XLogP3.40
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.31
LogP ≤ 53.40
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-(2,2,4,4-tetramethylhex-5-enyl)oxirane?
The IUPAC name of 2-(2,2,4,4-tetramethylhex-5-enyl)oxirane (CID 121263342) is 2-(2,2,4,4-tetramethylhex-5-enyl)oxirane.
What is the SMILES notation for 2-(2,2,4,4-tetramethylhex-5-enyl)oxirane?
The canonical SMILES for 2-(2,2,4,4-tetramethylhex-5-enyl)oxirane is C=CC(C)(C)CC(C)(C)CC1CO1.
What is the InChIKey of 2-(2,2,4,4-tetramethylhex-5-enyl)oxirane?
The InChIKey is KYDSOEYISVIGNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O/c1-6-11(2,3)9-12(4,5)7-10-8-13-10/h6,10H,1,7-9H2,2-5H3.
What are the key properties of 2-(2,2,4,4-tetramethylhex-5-enyl)oxirane?
2-(2,2,4,4-tetramethylhex-5-enyl)oxirane has a molecular weight of 182.31 g/mol, XLogP of 3.40, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2,4,4-tetramethylhex-5-enyl)oxirane is sourced from PubChem (CID 121263342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).