3-[(2E)-3,7-dimethylocta-2,6-dienyl]-2-ethenyl-2-methyloxirane

C15H24O — CID 22298017

IUPAC3-[(2E)-3,7-dimethylocta-2,6-dienyl]-2-ethenyl-2-methyloxirane
SMILESC=CC1(C)OC1C/C=C(\C)CCC=C(C)C
InChIInChI=1S/C15H24O/c1-6-15(5)14(16-15)11-10-13(4)9-7-8-12(2)3/h6,8,10,14H,1,7,9,11H2,2-5H3/b13-10+
InChIKeyGRYMSBITDPDESK-JLHYYAGUSA-N
MW220.36 g/mol
LogP4.41
Rot. Bonds6

About 3-[(2E)-3,7-dimethylocta-2,6-dienyl]-2-ethenyl-2-methyloxirane

3-[(2E)-3,7-dimethylocta-2,6-dienyl]-2-ethenyl-2-methyloxirane (PubChem CID 22298017) has the molecular formula C15H24O and a molecular weight of 220.36 g/mol. Its IUPAC name is 3-[(2E)-3,7-dimethylocta-2,6-dienyl]-2-ethenyl-2-methyloxirane.

Molecular Properties

Compound Name3-[(2E)-3,7-dimethylocta-2,6-dienyl]-2-ethenyl-2-methyloxirane
PubChem CID22298017
Molecular FormulaC15H24O
Molecular Weight220.36 g/mol
Exact Mass220.18
IUPAC Name3-[(2E)-3,7-dimethylocta-2,6-dienyl]-2-ethenyl-2-methyloxirane
SMILESC=CC1(C)OC1C/C=C(\C)CCC=C(C)C
InChIInChI=1S/C15H24O/c1-6-15(5)14(16-15)11-10-13(4)9-7-8-12(2)3/h6,8,10,14H,1,7,9,11H2,2-5H3/b13-10+
InChIKeyGRYMSBITDPDESK-JLHYYAGUSA-N
XLogP4.41
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
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

3-(4,8-dimethylnona-3,7-dienyl)-2,2-dimethyloxirane
CID 162821747
(2R,3R)-2-[(3E)-4,8-dimethylnona-3,7-dienyl]-3-ethenyl-2-methyloxirane
CID 42600655
(3S)-3-[(3E,7E,11E,13E,15E,19E,23E)-3,7,11,16,20,24,28-heptamethylnonacosa-3,7,11,13,15,19,23,27-octaenyl]-2,2-dimethyloxirane
CID 163021444
(10E)-2,6,11,15-tetramethylhexadeca-2,6,10,14-tetraene
CID 173158415
(14E,18E)-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene
CID 131954652
(6Z,10Z,14E,18E)-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene
CID 24871318
2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene
CID 173324782
2-methyl-2-(4-methylpent-3-enyl)-3-[(3E,7E,11E)-3,8,12,16-tetramethylheptadeca-3,7,11,15-tetraenyl]oxirane
CID 14018531
(3E,7E)-4,8,12-trimethyltrideca-1,3,7,11-tetraene
CID 6443227
(3S)-3-[(3E,7E,11E,15E)-12-ethyl-3,7,16,20-tetramethylhenicosa-3,7,11,15,19-pentaenyl]-2,2-dimethyloxirane
CID 102315854
(5E,9E)-2,6,10,14-tetramethylpentadeca-1,5,9,13-tetraene
CID 11758910
7,11-dimethyl-3-methylidenedodeca-1,6,10-triene
CID 158652324

Frequently Asked Questions

What is the IUPAC name of 3-[(2E)-3,7-dimethylocta-2,6-dienyl]-2-ethenyl-2-methyloxirane?
The IUPAC name of 3-[(2E)-3,7-dimethylocta-2,6-dienyl]-2-ethenyl-2-methyloxirane (CID 22298017) is 3-[(2E)-3,7-dimethylocta-2,6-dienyl]-2-ethenyl-2-methyloxirane.
What is the SMILES notation for 3-[(2E)-3,7-dimethylocta-2,6-dienyl]-2-ethenyl-2-methyloxirane?
The canonical SMILES for 3-[(2E)-3,7-dimethylocta-2,6-dienyl]-2-ethenyl-2-methyloxirane is C=CC1(C)OC1C/C=C(\C)CCC=C(C)C.
What is the InChIKey of 3-[(2E)-3,7-dimethylocta-2,6-dienyl]-2-ethenyl-2-methyloxirane?
The InChIKey is GRYMSBITDPDESK-JLHYYAGUSA-N. The full InChI is InChI=1S/C15H24O/c1-6-15(5)14(16-15)11-10-13(4)9-7-8-12(2)3/h6,8,10,14H,1,7,9,11H2,2-5H3/b13-10+.
What are the key properties of 3-[(2E)-3,7-dimethylocta-2,6-dienyl]-2-ethenyl-2-methyloxirane?
3-[(2E)-3,7-dimethylocta-2,6-dienyl]-2-ethenyl-2-methyloxirane has a molecular weight of 220.36 g/mol, XLogP of 4.41, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2E)-3,7-dimethylocta-2,6-dienyl]-2-ethenyl-2-methyloxirane is sourced from PubChem (CID 22298017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).