[(1E,3E)-1-(3,4-dihydro-2H-pyran-6-yl)-1-methoxyhepta-1,3-dien-3-yl]-trimethylsilane

C16H28O2Si — CID 10967929

IUPAC[(1E,3E)-1-(3,4-dihydro-2H-pyran-6-yl)-1-methoxyhepta-1,3-dien-3-yl]-trimethylsilane
SMILESCCC/C=C(\C=C(\OC)C1=CCCCO1)[Si](C)(C)C
InChIInChI=1S/C16H28O2Si/c1-6-7-10-14(19(3,4)5)13-16(17-2)15-11-8-9-12-18-15/h10-11,13H,6-9,12H2,1-5H3/b14-10+,16-13+
InChIKeyBCOLTHUUVWORBK-GOAZRFPBSA-N
MW280.48 g/mol
LogP4.81
Rot. Bonds6

About [(1E,3E)-1-(3,4-dihydro-2H-pyran-6-yl)-1-methoxyhepta-1,3-dien-3-yl]-trimethylsilane

[(1E,3E)-1-(3,4-dihydro-2H-pyran-6-yl)-1-methoxyhepta-1,3-dien-3-yl]-trimethylsilane (PubChem CID 10967929) has the molecular formula C16H28O2Si and a molecular weight of 280.48 g/mol. Its IUPAC name is [(1E,3E)-1-(3,4-dihydro-2H-pyran-6-yl)-1-methoxyhepta-1,3-dien-3-yl]-trimethylsilane.

Molecular Properties

Compound Name[(1E,3E)-1-(3,4-dihydro-2H-pyran-6-yl)-1-methoxyhepta-1,3-dien-3-yl]-trimethylsilane
PubChem CID10967929
Molecular FormulaC16H28O2Si
Molecular Weight280.48 g/mol
Exact Mass280.19
IUPAC Name[(1E,3E)-1-(3,4-dihydro-2H-pyran-6-yl)-1-methoxyhepta-1,3-dien-3-yl]-trimethylsilane
SMILESCCC/C=C(\C=C(\OC)C1=CCCCO1)[Si](C)(C)C
InChIInChI=1S/C16H28O2Si/c1-6-7-10-14(19(3,4)5)13-16(17-2)15-11-8-9-12-18-15/h10-11,13H,6-9,12H2,1-5H3/b14-10+,16-13+
InChIKeyBCOLTHUUVWORBK-GOAZRFPBSA-N
XLogP4.81
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.48
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

6-[(1E)-1-ethoxybuta-1,3-dienyl]-3,4-dihydro-2H-pyran
CID 11458036
tert-butyl-[(2S)-1-(2-fluorocyclohexa-1,5-dien-1-yl)oxypropan-2-yl]oxy-dimethylsilane
CID 174090250
tert-butyl-[(2R)-1-(2-fluorocyclohexa-1,5-dien-1-yl)oxypropan-2-yl]oxy-dimethylsilane
CID 174090259
tert-butyl-[(E)-6-(3,4-dihydro-2H-pyran-6-yl)hex-5-enoxy]-dimethylsilane
CID 139254024
[3,4-dihydro-2H-pyran-6-yl(methoxy)methyl]-triethylsilane
CID 10014643
2-(2-Butoxyethoxy)cyclohexa-1,3-diene
CID 20090459
(5-Butoxycyclohexa-1,5-dien-1-yl)oxy-trimethylsilane
CID 71044314
Tert-butyl-(3-methoxycyclohexa-1,3-dien-1-yl)oxy-dimethylsilane
CID 71227650
[(1R,6S)-5,6-dimethoxy-4-trimethylsilylcyclohexa-2,4-dien-1-yl]-trimethylsilane
CID 90202087
Triethyl(2,3,4,7-tetrahydrooxepin-6-yloxy)silane
CID 168192434
(6-Methoxycyclohexa-1,5-dien-1-yl)oxy-tri(propan-2-yl)silane
CID 173124814
[(1R)-5,6-dimethoxy-4-trimethylsilylcyclohexa-2,4-dien-1-yl]-trimethylsilane
CID 173624816

Frequently Asked Questions

What is the IUPAC name of [(1E,3E)-1-(3,4-dihydro-2H-pyran-6-yl)-1-methoxyhepta-1,3-dien-3-yl]-trimethylsilane?
The IUPAC name of [(1E,3E)-1-(3,4-dihydro-2H-pyran-6-yl)-1-methoxyhepta-1,3-dien-3-yl]-trimethylsilane (CID 10967929) is [(1E,3E)-1-(3,4-dihydro-2H-pyran-6-yl)-1-methoxyhepta-1,3-dien-3-yl]-trimethylsilane.
What is the SMILES notation for [(1E,3E)-1-(3,4-dihydro-2H-pyran-6-yl)-1-methoxyhepta-1,3-dien-3-yl]-trimethylsilane?
The canonical SMILES for [(1E,3E)-1-(3,4-dihydro-2H-pyran-6-yl)-1-methoxyhepta-1,3-dien-3-yl]-trimethylsilane is CCC/C=C(\C=C(\OC)C1=CCCCO1)[Si](C)(C)C.
What is the InChIKey of [(1E,3E)-1-(3,4-dihydro-2H-pyran-6-yl)-1-methoxyhepta-1,3-dien-3-yl]-trimethylsilane?
The InChIKey is BCOLTHUUVWORBK-GOAZRFPBSA-N. The full InChI is InChI=1S/C16H28O2Si/c1-6-7-10-14(19(3,4)5)13-16(17-2)15-11-8-9-12-18-15/h10-11,13H,6-9,12H2,1-5H3/b14-10+,16-13+.
What are the key properties of [(1E,3E)-1-(3,4-dihydro-2H-pyran-6-yl)-1-methoxyhepta-1,3-dien-3-yl]-trimethylsilane?
[(1E,3E)-1-(3,4-dihydro-2H-pyran-6-yl)-1-methoxyhepta-1,3-dien-3-yl]-trimethylsilane has a molecular weight of 280.48 g/mol, XLogP of 4.81, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1E,3E)-1-(3,4-dihydro-2H-pyran-6-yl)-1-methoxyhepta-1,3-dien-3-yl]-trimethylsilane is sourced from PubChem (CID 10967929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).