[(E)-2,3,6,7,8,8a-hexahydrochromen-4-ylidenemethyl]-trimethylsilane

C13H22OSi — CID 11401803

IUPAC[(E)-2,3,6,7,8,8a-hexahydrochromen-4-ylidenemethyl]-trimethylsilane
SMILESC[Si](C)(C)/C=C1\CCOC2CCCC=C12
InChIInChI=1S/C13H22OSi/c1-15(2,3)10-11-8-9-14-13-7-5-4-6-12(11)13/h6,10,13H,4-5,7-9H2,1-3H3/b11-10+
InChIKeyKZDAMCHCSTVVQT-ZHACJKMWSA-N
MW222.40 g/mol
LogP3.69
Rot. Bonds1

About [(E)-2,3,6,7,8,8a-hexahydrochromen-4-ylidenemethyl]-trimethylsilane

[(E)-2,3,6,7,8,8a-hexahydrochromen-4-ylidenemethyl]-trimethylsilane (PubChem CID 11401803) has the molecular formula C13H22OSi and a molecular weight of 222.40 g/mol. Its IUPAC name is [(E)-2,3,6,7,8,8a-hexahydrochromen-4-ylidenemethyl]-trimethylsilane.

Molecular Properties

Compound Name[(E)-2,3,6,7,8,8a-hexahydrochromen-4-ylidenemethyl]-trimethylsilane
PubChem CID11401803
Molecular FormulaC13H22OSi
Molecular Weight222.40 g/mol
Exact Mass222.14
IUPAC Name[(E)-2,3,6,7,8,8a-hexahydrochromen-4-ylidenemethyl]-trimethylsilane
SMILESC[Si](C)(C)/C=C1\CCOC2CCCC=C12
InChIInChI=1S/C13H22OSi/c1-15(2,3)10-11-8-9-14-13-7-5-4-6-12(11)13/h6,10,13H,4-5,7-9H2,1-3H3/b11-10+
InChIKeyKZDAMCHCSTVVQT-ZHACJKMWSA-N
XLogP3.69
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.40
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(4E)-4-(2-methylprop-2-enylidene)-2,3,6,7,8,8a-hexahydrochromene
CID 12140279
(4E)-4-propylidene-2,3,6,7,8,8a-hexahydrochromene
CID 12140280
4-Methylidene-2,3,6,7,8,8a-hexahydrochromene
CID 12140281
trimethyl-[(E)-[(2S,6S)-2-[(E)-prop-1-enyl]-6-propyloxan-4-ylidene]methyl]silane
CID 135041561
(2-But-2-en-2-yloxan-2-yl)-dimethylsilane
CID 123838100
(2S,6S)-2-ethyl-6-[(3E)-hexa-1,3,5-trien-3-yl]oxane
CID 144202025
[6-(Cyclopenta-2,4-dien-1-ylidenemethyl)oxan-2-yl]-methylsilane
CID 174454683
(2-But-2-en-2-yloxan-2-yl)-methylsilane
CID 174633392
[2-(Cyclohexen-1-yl)oxan-2-yl]-trimethylsilane
CID 175353590
3-methyl-5-methylidene-6-octyl-2H-pyran
CID 10082301
(8S,8aS)-8-hexyl-4-methyl-2,6,8,8a-tetrahydropyrano[3,4-b]pyran
CID 10889919
(8S,8aR)-4-butyl-8-methyl-2,6,8,8a-tetrahydropyrano[3,4-b]pyran
CID 11127506

Frequently Asked Questions

What is the IUPAC name of [(E)-2,3,6,7,8,8a-hexahydrochromen-4-ylidenemethyl]-trimethylsilane?
The IUPAC name of [(E)-2,3,6,7,8,8a-hexahydrochromen-4-ylidenemethyl]-trimethylsilane (CID 11401803) is [(E)-2,3,6,7,8,8a-hexahydrochromen-4-ylidenemethyl]-trimethylsilane.
What is the SMILES notation for [(E)-2,3,6,7,8,8a-hexahydrochromen-4-ylidenemethyl]-trimethylsilane?
The canonical SMILES for [(E)-2,3,6,7,8,8a-hexahydrochromen-4-ylidenemethyl]-trimethylsilane is C[Si](C)(C)/C=C1\CCOC2CCCC=C12.
What is the InChIKey of [(E)-2,3,6,7,8,8a-hexahydrochromen-4-ylidenemethyl]-trimethylsilane?
The InChIKey is KZDAMCHCSTVVQT-ZHACJKMWSA-N. The full InChI is InChI=1S/C13H22OSi/c1-15(2,3)10-11-8-9-14-13-7-5-4-6-12(11)13/h6,10,13H,4-5,7-9H2,1-3H3/b11-10+.
What are the key properties of [(E)-2,3,6,7,8,8a-hexahydrochromen-4-ylidenemethyl]-trimethylsilane?
[(E)-2,3,6,7,8,8a-hexahydrochromen-4-ylidenemethyl]-trimethylsilane has a molecular weight of 222.40 g/mol, XLogP of 3.69, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-2,3,6,7,8,8a-hexahydrochromen-4-ylidenemethyl]-trimethylsilane is sourced from PubChem (CID 11401803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).