[(E)-[(3aR,5aR,9bS)-5a,9-dimethyl-4,5,6,7,8,9b-hexahydro-3aH-benzo[g][1]benzofuran-3-ylidene]methyl]-trimethylsilane

C18H30OSi — CID 139265898

IUPAC[(E)-[(3aR,5aR,9bS)-5a,9-dimethyl-4,5,6,7,8,9b-hexahydro-3aH-benzo[g][1]benzofuran-3-ylidene]methyl]-trimethylsilane
SMILESCC1=C2[C@H]3OC/C(=C/[Si](C)(C)C)[C@H]3CC[C@@]2(C)CCC1
InChIInChI=1S/C18H30OSi/c1-13-7-6-9-18(2)10-8-15-14(12-20(3,4)5)11-19-17(15)16(13)18/h12,15,17H,6-11H2,1-5H3/b14-12-/t15-,17+,18-/m1/s1
InChIKeyWVALKQDZJJFXEW-CKIOFPDXSA-N
MW290.52 g/mol
LogP5.11
Rot. Bonds1

About [(E)-[(3aR,5aR,9bS)-5a,9-dimethyl-4,5,6,7,8,9b-hexahydro-3aH-benzo[g][1]benzofuran-3-ylidene]methyl]-trimethylsilane

[(E)-[(3aR,5aR,9bS)-5a,9-dimethyl-4,5,6,7,8,9b-hexahydro-3aH-benzo[g][1]benzofuran-3-ylidene]methyl]-trimethylsilane (PubChem CID 139265898) has the molecular formula C18H30OSi and a molecular weight of 290.52 g/mol. Its IUPAC name is [(E)-[(3aR,5aR,9bS)-5a,9-dimethyl-4,5,6,7,8,9b-hexahydro-3aH-benzo[g][1]benzofuran-3-ylidene]methyl]-trimethylsilane.

Molecular Properties

Compound Name[(E)-[(3aR,5aR,9bS)-5a,9-dimethyl-4,5,6,7,8,9b-hexahydro-3aH-benzo[g][1]benzofuran-3-ylidene]methyl]-trimethylsilane
PubChem CID139265898
Molecular FormulaC18H30OSi
Molecular Weight290.52 g/mol
Exact Mass290.21
IUPAC Name[(E)-[(3aR,5aR,9bS)-5a,9-dimethyl-4,5,6,7,8,9b-hexahydro-3aH-benzo[g][1]benzofuran-3-ylidene]methyl]-trimethylsilane
SMILESCC1=C2[C@H]3OC/C(=C/[Si](C)(C)C)[C@H]3CC[C@@]2(C)CCC1
InChIInChI=1S/C18H30OSi/c1-13-7-6-9-18(2)10-8-15-14(12-20(3,4)5)11-19-17(15)16(13)18/h12,15,17H,6-11H2,1-5H3/b14-12-/t15-,17+,18-/m1/s1
InChIKeyWVALKQDZJJFXEW-CKIOFPDXSA-N
XLogP5.11
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500290.52
LogP ≤ 55.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(E)-[(3aR,5aR,9bS)-5a,9-dimethyl-4,5,6,7,8,9b-hexahydro-3aH-benzo[g][1]benzofuran-3-ylidene]methyl]-trimethylsilane?
The IUPAC name of [(E)-[(3aR,5aR,9bS)-5a,9-dimethyl-4,5,6,7,8,9b-hexahydro-3aH-benzo[g][1]benzofuran-3-ylidene]methyl]-trimethylsilane (CID 139265898) is [(E)-[(3aR,5aR,9bS)-5a,9-dimethyl-4,5,6,7,8,9b-hexahydro-3aH-benzo[g][1]benzofuran-3-ylidene]methyl]-trimethylsilane.
What is the SMILES notation for [(E)-[(3aR,5aR,9bS)-5a,9-dimethyl-4,5,6,7,8,9b-hexahydro-3aH-benzo[g][1]benzofuran-3-ylidene]methyl]-trimethylsilane?
The canonical SMILES for [(E)-[(3aR,5aR,9bS)-5a,9-dimethyl-4,5,6,7,8,9b-hexahydro-3aH-benzo[g][1]benzofuran-3-ylidene]methyl]-trimethylsilane is CC1=C2[C@H]3OC/C(=C/[Si](C)(C)C)[C@H]3CC[C@@]2(C)CCC1.
What is the InChIKey of [(E)-[(3aR,5aR,9bS)-5a,9-dimethyl-4,5,6,7,8,9b-hexahydro-3aH-benzo[g][1]benzofuran-3-ylidene]methyl]-trimethylsilane?
The InChIKey is WVALKQDZJJFXEW-CKIOFPDXSA-N. The full InChI is InChI=1S/C18H30OSi/c1-13-7-6-9-18(2)10-8-15-14(12-20(3,4)5)11-19-17(15)16(13)18/h12,15,17H,6-11H2,1-5H3/b14-12-/t15-,17+,18-/m1/s1.
What are the key properties of [(E)-[(3aR,5aR,9bS)-5a,9-dimethyl-4,5,6,7,8,9b-hexahydro-3aH-benzo[g][1]benzofuran-3-ylidene]methyl]-trimethylsilane?
[(E)-[(3aR,5aR,9bS)-5a,9-dimethyl-4,5,6,7,8,9b-hexahydro-3aH-benzo[g][1]benzofuran-3-ylidene]methyl]-trimethylsilane has a molecular weight of 290.52 g/mol, XLogP of 5.11, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-[(3aR,5aR,9bS)-5a,9-dimethyl-4,5,6,7,8,9b-hexahydro-3aH-benzo[g][1]benzofuran-3-ylidene]methyl]-trimethylsilane is sourced from PubChem (CID 139265898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).