2-(6,10-dimethylundeca-1,5,9-trien-2-yl)oxirane

C15H24O — CID 535254

IUPAC2-(6,10-dimethylundeca-1,5,9-trien-2-yl)oxirane
SMILESC=C(CCC=C(C)CCC=C(C)C)C1CO1
InChIInChI=1S/C15H24O/c1-12(2)7-5-8-13(3)9-6-10-14(4)15-11-16-15/h7,9,15H,4-6,8,10-11H2,1-3H3
InChIKeyHNYSBTOKKSTMIG-UHFFFAOYSA-N
MW220.36 g/mol
LogP4.41
Rot. Bonds7

About 2-(6,10-dimethylundeca-1,5,9-trien-2-yl)oxirane

2-(6,10-dimethylundeca-1,5,9-trien-2-yl)oxirane (PubChem CID 535254) has the molecular formula C15H24O and a molecular weight of 220.36 g/mol. Its IUPAC name is 2-(6,10-dimethylundeca-1,5,9-trien-2-yl)oxirane.

Molecular Properties

Compound Name2-(6,10-dimethylundeca-1,5,9-trien-2-yl)oxirane
PubChem CID535254
Molecular FormulaC15H24O
Molecular Weight220.36 g/mol
Exact Mass220.18
IUPAC Name2-(6,10-dimethylundeca-1,5,9-trien-2-yl)oxirane
SMILESC=C(CCC=C(C)CCC=C(C)C)C1CO1
InChIInChI=1S/C15H24O/c1-12(2)7-5-8-13(3)9-6-10-14(4)15-11-16-15/h7,9,15H,4-6,8,10-11H2,1-3H3
InChIKeyHNYSBTOKKSTMIG-UHFFFAOYSA-N
XLogP4.41
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 54.41
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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Related Compounds

2H-Pyran, 6-butyl-3,6-dihydro-2,4-dimethyl-
CID 91147
4-Methylidene-2-(2-methylprop-1-enyl)oxane
CID 108520
Cyclohexenyl oxirane
CID 10931430
2-Butyl-4-methyl-5,6-dihydro-2H-pyran
CID 12503534
Farnesene epoxide, E-
CID 5362910
2-(2-Methylprop-1-enyl)4-methylenetetrahydropyran, (R)-
CID 11708083
4-methyl-6-(3-methylbut-3-enyl)-3,6-dihydro-2H-pyran
CID 12576399
(E)-2-(4,8-Dimethylnona-3,7-dien-1-yl)-2-vinyloxirane
CID 60147483
(E)-2-(2,6-dimethylhepta-1,5-dien-1-yl)oxirane
CID 87569587
(2S)-2-(2-methylprop-1-enyl)oxane
CID 89005709
3h-Styrene oxide
CID 89194236
2-(2-Methylprop-1-enyl)4-methylenetetrahydropyran, (S)-
CID 92256313

Frequently Asked Questions

What is the IUPAC name of 2-(6,10-dimethylundeca-1,5,9-trien-2-yl)oxirane?
The IUPAC name of 2-(6,10-dimethylundeca-1,5,9-trien-2-yl)oxirane (CID 535254) is 2-(6,10-dimethylundeca-1,5,9-trien-2-yl)oxirane.
What is the SMILES notation for 2-(6,10-dimethylundeca-1,5,9-trien-2-yl)oxirane?
The canonical SMILES for 2-(6,10-dimethylundeca-1,5,9-trien-2-yl)oxirane is C=C(CCC=C(C)CCC=C(C)C)C1CO1.
What is the InChIKey of 2-(6,10-dimethylundeca-1,5,9-trien-2-yl)oxirane?
The InChIKey is HNYSBTOKKSTMIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O/c1-12(2)7-5-8-13(3)9-6-10-14(4)15-11-16-15/h7,9,15H,4-6,8,10-11H2,1-3H3.
What are the key properties of 2-(6,10-dimethylundeca-1,5,9-trien-2-yl)oxirane?
2-(6,10-dimethylundeca-1,5,9-trien-2-yl)oxirane has a molecular weight of 220.36 g/mol, XLogP of 4.41, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6,10-dimethylundeca-1,5,9-trien-2-yl)oxirane is sourced from PubChem (CID 535254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).