2-[(1Z)-2,6-dimethylhepta-1,5-dienyl]oxirane

C11H18O — CID 11446544

IUPAC2-[(1Z)-2,6-dimethylhepta-1,5-dienyl]oxirane
SMILESCC(C)=CCC/C(C)=C\C1CO1
InChIInChI=1S/C11H18O/c1-9(2)5-4-6-10(3)7-11-8-12-11/h5,7,11H,4,6,8H2,1-3H3/b10-7-
InChIKeyCVLUQCFBBAQDOH-YFHOEESVSA-N
MW166.26 g/mol
LogP3.08
Rot. Bonds4

About 2-[(1Z)-2,6-dimethylhepta-1,5-dienyl]oxirane

2-[(1Z)-2,6-dimethylhepta-1,5-dienyl]oxirane (PubChem CID 11446544) has the molecular formula C11H18O and a molecular weight of 166.26 g/mol. Its IUPAC name is 2-[(1Z)-2,6-dimethylhepta-1,5-dienyl]oxirane.

Molecular Properties

Compound Name2-[(1Z)-2,6-dimethylhepta-1,5-dienyl]oxirane
PubChem CID11446544
Molecular FormulaC11H18O
Molecular Weight166.26 g/mol
Exact Mass166.14
IUPAC Name2-[(1Z)-2,6-dimethylhepta-1,5-dienyl]oxirane
SMILESCC(C)=CCC/C(C)=C\C1CO1
InChIInChI=1S/C11H18O/c1-9(2)5-4-6-10(3)7-11-8-12-11/h5,7,11H,4,6,8H2,1-3H3/b10-7-
InChIKeyCVLUQCFBBAQDOH-YFHOEESVSA-N
XLogP3.08
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.26
LogP ≤ 53.08
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

2-[(1Z)-2,6-dimethylhepta-1,5-dienyl]-4-methyl-1,3-dioxolane
CID 71587623
2-(2,6-dimethylhepta-1,5-dienyl)-1,3-oxathiolane
CID 53423091
2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene
CID 173324782
(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
(6E)-2,6-dimethylocta-2,6-diene
CID 5365898
(6Z,10Z,14E,18E)-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene
CID 24871318
2-[(1E)-2,6-dimethylhepta-1,5-dienyl]-3-ethenyl-2,5-dihydrofuran
CID 11790665
(1E)-2,6-dimethylhepta-1,5-dien-1-ol
CID 12944525
1-amino-5-methyl-1-(oxiran-2-yl)hex-4-en-1-ol
CID 146180447
(6E,10E,14E,18E)-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene;2-methyloxaziridine
CID 20839770
(6E,10E,15E)-2,6,10,16,20-pentamethylhenicosa-2,6,10,15,19-pentaene
CID 58662859

Frequently Asked Questions

What is the IUPAC name of 2-[(1Z)-2,6-dimethylhepta-1,5-dienyl]oxirane?
The IUPAC name of 2-[(1Z)-2,6-dimethylhepta-1,5-dienyl]oxirane (CID 11446544) is 2-[(1Z)-2,6-dimethylhepta-1,5-dienyl]oxirane.
What is the SMILES notation for 2-[(1Z)-2,6-dimethylhepta-1,5-dienyl]oxirane?
The canonical SMILES for 2-[(1Z)-2,6-dimethylhepta-1,5-dienyl]oxirane is CC(C)=CCC/C(C)=C\C1CO1.
What is the InChIKey of 2-[(1Z)-2,6-dimethylhepta-1,5-dienyl]oxirane?
The InChIKey is CVLUQCFBBAQDOH-YFHOEESVSA-N. The full InChI is InChI=1S/C11H18O/c1-9(2)5-4-6-10(3)7-11-8-12-11/h5,7,11H,4,6,8H2,1-3H3/b10-7-.
What are the key properties of 2-[(1Z)-2,6-dimethylhepta-1,5-dienyl]oxirane?
2-[(1Z)-2,6-dimethylhepta-1,5-dienyl]oxirane has a molecular weight of 166.26 g/mol, XLogP of 3.08, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1Z)-2,6-dimethylhepta-1,5-dienyl]oxirane is sourced from PubChem (CID 11446544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).