1-[(3aS,7aS)-3-ethenyl-3a,7,7-trimethyl-4,5,6,7a-tetrahydro-1H-inden-2-yl]ethenoxy-trimethylsilane

C19H32OSi — CID 25199274

IUPAC1-[(3aS,7aS)-3-ethenyl-3a,7,7-trimethyl-4,5,6,7a-tetrahydro-1H-inden-2-yl]ethenoxy-trimethylsilane
SMILESC=CC1=C(C(=C)O[Si](C)(C)C)C[C@H]2C(C)(C)CCC[C@]12C
InChIInChI=1S/C19H32OSi/c1-9-16-15(14(2)20-21(6,7)8)13-17-18(3,4)11-10-12-19(16,17)5/h9,17H,1-2,10-13H2,3-8H3/t17-,19+/m0/s1
InChIKeyHJPLHEBHGHYNBR-PKOBYXMFSA-N
MW304.55 g/mol
LogP6.07
Rot. Bonds4

About 1-[(3aS,7aS)-3-ethenyl-3a,7,7-trimethyl-4,5,6,7a-tetrahydro-1H-inden-2-yl]ethenoxy-trimethylsilane

1-[(3aS,7aS)-3-ethenyl-3a,7,7-trimethyl-4,5,6,7a-tetrahydro-1H-inden-2-yl]ethenoxy-trimethylsilane (PubChem CID 25199274) has the molecular formula C19H32OSi and a molecular weight of 304.55 g/mol. Its IUPAC name is 1-[(3aS,7aS)-3-ethenyl-3a,7,7-trimethyl-4,5,6,7a-tetrahydro-1H-inden-2-yl]ethenoxy-trimethylsilane.

Molecular Properties

Compound Name1-[(3aS,7aS)-3-ethenyl-3a,7,7-trimethyl-4,5,6,7a-tetrahydro-1H-inden-2-yl]ethenoxy-trimethylsilane
PubChem CID25199274
Molecular FormulaC19H32OSi
Molecular Weight304.55 g/mol
Exact Mass304.22
IUPAC Name1-[(3aS,7aS)-3-ethenyl-3a,7,7-trimethyl-4,5,6,7a-tetrahydro-1H-inden-2-yl]ethenoxy-trimethylsilane
SMILESC=CC1=C(C(=C)O[Si](C)(C)C)C[C@H]2C(C)(C)CCC[C@]12C
InChIInChI=1S/C19H32OSi/c1-9-16-15(14(2)20-21(6,7)8)13-17-18(3,4)11-10-12-19(16,17)5/h9,17H,1-2,10-13H2,3-8H3/t17-,19+/m0/s1
InChIKeyHJPLHEBHGHYNBR-PKOBYXMFSA-N
XLogP6.07
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500304.55
LogP ≤ 56.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[(3aS,7aS)-3-ethenyl-3a,7,7-trimethyl-4,5,6,7a-tetrahydro-1H-inden-2-yl]ethenoxy-trimethylsilane?
The IUPAC name of 1-[(3aS,7aS)-3-ethenyl-3a,7,7-trimethyl-4,5,6,7a-tetrahydro-1H-inden-2-yl]ethenoxy-trimethylsilane (CID 25199274) is 1-[(3aS,7aS)-3-ethenyl-3a,7,7-trimethyl-4,5,6,7a-tetrahydro-1H-inden-2-yl]ethenoxy-trimethylsilane.
What is the SMILES notation for 1-[(3aS,7aS)-3-ethenyl-3a,7,7-trimethyl-4,5,6,7a-tetrahydro-1H-inden-2-yl]ethenoxy-trimethylsilane?
The canonical SMILES for 1-[(3aS,7aS)-3-ethenyl-3a,7,7-trimethyl-4,5,6,7a-tetrahydro-1H-inden-2-yl]ethenoxy-trimethylsilane is C=CC1=C(C(=C)O[Si](C)(C)C)C[C@H]2C(C)(C)CCC[C@]12C.
What is the InChIKey of 1-[(3aS,7aS)-3-ethenyl-3a,7,7-trimethyl-4,5,6,7a-tetrahydro-1H-inden-2-yl]ethenoxy-trimethylsilane?
The InChIKey is HJPLHEBHGHYNBR-PKOBYXMFSA-N. The full InChI is InChI=1S/C19H32OSi/c1-9-16-15(14(2)20-21(6,7)8)13-17-18(3,4)11-10-12-19(16,17)5/h9,17H,1-2,10-13H2,3-8H3/t17-,19+/m0/s1.
What are the key properties of 1-[(3aS,7aS)-3-ethenyl-3a,7,7-trimethyl-4,5,6,7a-tetrahydro-1H-inden-2-yl]ethenoxy-trimethylsilane?
1-[(3aS,7aS)-3-ethenyl-3a,7,7-trimethyl-4,5,6,7a-tetrahydro-1H-inden-2-yl]ethenoxy-trimethylsilane has a molecular weight of 304.55 g/mol, XLogP of 6.07, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3aS,7aS)-3-ethenyl-3a,7,7-trimethyl-4,5,6,7a-tetrahydro-1H-inden-2-yl]ethenoxy-trimethylsilane is sourced from PubChem (CID 25199274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).