2-(3-methylhexa-1,5-dien-3-yloxy)oxane

C12H20O2 — CID 154196292

IUPAC2-(3-methylhexa-1,5-dien-3-yloxy)oxane
SMILESC=CCC(C)(C=C)OC1CCCCO1
InChIInChI=1S/C12H20O2/c1-4-9-12(3,5-2)14-11-8-6-7-10-13-11/h4-5,11H,1-2,6-10H2,3H3
InChIKeySWLHZEBKGISFDG-UHFFFAOYSA-N
MW196.29 g/mol
LogP3.05
Rot. Bonds5

About 2-(3-methylhexa-1,5-dien-3-yloxy)oxane

2-(3-methylhexa-1,5-dien-3-yloxy)oxane (PubChem CID 154196292) has the molecular formula C12H20O2 and a molecular weight of 196.29 g/mol. Its IUPAC name is 2-(3-methylhexa-1,5-dien-3-yloxy)oxane.

Molecular Properties

Compound Name2-(3-methylhexa-1,5-dien-3-yloxy)oxane
PubChem CID154196292
Molecular FormulaC12H20O2
Molecular Weight196.29 g/mol
Exact Mass196.15
IUPAC Name2-(3-methylhexa-1,5-dien-3-yloxy)oxane
SMILESC=CCC(C)(C=C)OC1CCCCO1
InChIInChI=1S/C12H20O2/c1-4-9-12(3,5-2)14-11-8-6-7-10-13-11/h4-5,11H,1-2,6-10H2,3H3
InChIKeySWLHZEBKGISFDG-UHFFFAOYSA-N
XLogP3.05
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-((Pent-1-en-3-yl)oxy)oxane
CID 14103515
2H-Pyran, 2-[(1-ethenyl-1,5-dimethyl-4-hexenyl)oxy]tetrahydro-
CID 558950
2-[(2S)-2-ethenylpentoxy]oxane
CID 11550183
2-[(2s)-Pent-4-en-2-yloxy]tetrahydro-2h-pyran
CID 129758371
2-[(2S)-2-prop-2-enoxypent-4-enoxy]oxane
CID 134832597
2-[(3R)-3-(methoxymethoxy)pent-4-enoxy]oxane
CID 134857158
2-[(Z)-4-butyltellanylbut-3-en-2-yl]oxyoxane
CID 12176976
2-[(6E)-3,7,11-trimethyldodeca-1,6,10-trien-3-yl]oxyoxane
CID 12526350
2-[(But-3-en-2-yl)oxy]oxane
CID 13307470
2-(2-Ethenyl-4-methylpentoxy)oxane
CID 14117232
2-(4-Methyloct-1-en-4-yloxy)oxane
CID 15877491
2-[(3R)-hept-1-en-3-yl]oxyoxane
CID 59098330

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylhexa-1,5-dien-3-yloxy)oxane?
The IUPAC name of 2-(3-methylhexa-1,5-dien-3-yloxy)oxane (CID 154196292) is 2-(3-methylhexa-1,5-dien-3-yloxy)oxane.
What is the SMILES notation for 2-(3-methylhexa-1,5-dien-3-yloxy)oxane?
The canonical SMILES for 2-(3-methylhexa-1,5-dien-3-yloxy)oxane is C=CCC(C)(C=C)OC1CCCCO1.
What is the InChIKey of 2-(3-methylhexa-1,5-dien-3-yloxy)oxane?
The InChIKey is SWLHZEBKGISFDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O2/c1-4-9-12(3,5-2)14-11-8-6-7-10-13-11/h4-5,11H,1-2,6-10H2,3H3.
What are the key properties of 2-(3-methylhexa-1,5-dien-3-yloxy)oxane?
2-(3-methylhexa-1,5-dien-3-yloxy)oxane has a molecular weight of 196.29 g/mol, XLogP of 3.05, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylhexa-1,5-dien-3-yloxy)oxane is sourced from PubChem (CID 154196292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).