[(3aS,6R,7aR)-3a-methyl-6-prop-1-en-2-yl-1,6,7,7a-tetrahydroinden-4-yl]oxy-tert-butyl-dimethylsilane

C19H32OSi — CID 11289704

IUPAC[(3aS,6R,7aR)-3a-methyl-6-prop-1-en-2-yl-1,6,7,7a-tetrahydroinden-4-yl]oxy-tert-butyl-dimethylsilane
SMILESC=C(C)[C@H]1C=C(O[Si](C)(C)C(C)(C)C)[C@]2(C)C=CC[C@@H]2C1
InChIInChI=1S/C19H32OSi/c1-14(2)15-12-16-10-9-11-19(16,6)17(13-15)20-21(7,8)18(3,4)5/h9,11,13,15-16H,1,10,12H2,2-8H3/t15-,16-,19-/m1/s1
InChIKeySBSFNYQYWDZAJE-GPMSIDNRSA-N
MW304.55 g/mol
LogP6.07
Rot. Bonds3

About [(3aS,6R,7aR)-3a-methyl-6-prop-1-en-2-yl-1,6,7,7a-tetrahydroinden-4-yl]oxy-tert-butyl-dimethylsilane

[(3aS,6R,7aR)-3a-methyl-6-prop-1-en-2-yl-1,6,7,7a-tetrahydroinden-4-yl]oxy-tert-butyl-dimethylsilane (PubChem CID 11289704) has the molecular formula C19H32OSi and a molecular weight of 304.55 g/mol. Its IUPAC name is [(3aS,6R,7aR)-3a-methyl-6-prop-1-en-2-yl-1,6,7,7a-tetrahydroinden-4-yl]oxy-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name[(3aS,6R,7aR)-3a-methyl-6-prop-1-en-2-yl-1,6,7,7a-tetrahydroinden-4-yl]oxy-tert-butyl-dimethylsilane
PubChem CID11289704
Molecular FormulaC19H32OSi
Molecular Weight304.55 g/mol
Exact Mass304.22
IUPAC Name[(3aS,6R,7aR)-3a-methyl-6-prop-1-en-2-yl-1,6,7,7a-tetrahydroinden-4-yl]oxy-tert-butyl-dimethylsilane
SMILESC=C(C)[C@H]1C=C(O[Si](C)(C)C(C)(C)C)[C@]2(C)C=CC[C@@H]2C1
InChIInChI=1S/C19H32OSi/c1-14(2)15-12-16-10-9-11-19(16,6)17(13-15)20-21(7,8)18(3,4)5/h9,11,13,15-16H,1,10,12H2,2-8H3/t15-,16-,19-/m1/s1
InChIKeySBSFNYQYWDZAJE-GPMSIDNRSA-N
XLogP6.07
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
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': '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 [(3aS,6R,7aR)-3a-methyl-6-prop-1-en-2-yl-1,6,7,7a-tetrahydroinden-4-yl]oxy-tert-butyl-dimethylsilane?
The IUPAC name of [(3aS,6R,7aR)-3a-methyl-6-prop-1-en-2-yl-1,6,7,7a-tetrahydroinden-4-yl]oxy-tert-butyl-dimethylsilane (CID 11289704) is [(3aS,6R,7aR)-3a-methyl-6-prop-1-en-2-yl-1,6,7,7a-tetrahydroinden-4-yl]oxy-tert-butyl-dimethylsilane.
What is the SMILES notation for [(3aS,6R,7aR)-3a-methyl-6-prop-1-en-2-yl-1,6,7,7a-tetrahydroinden-4-yl]oxy-tert-butyl-dimethylsilane?
The canonical SMILES for [(3aS,6R,7aR)-3a-methyl-6-prop-1-en-2-yl-1,6,7,7a-tetrahydroinden-4-yl]oxy-tert-butyl-dimethylsilane is C=C(C)[C@H]1C=C(O[Si](C)(C)C(C)(C)C)[C@]2(C)C=CC[C@@H]2C1.
What is the InChIKey of [(3aS,6R,7aR)-3a-methyl-6-prop-1-en-2-yl-1,6,7,7a-tetrahydroinden-4-yl]oxy-tert-butyl-dimethylsilane?
The InChIKey is SBSFNYQYWDZAJE-GPMSIDNRSA-N. The full InChI is InChI=1S/C19H32OSi/c1-14(2)15-12-16-10-9-11-19(16,6)17(13-15)20-21(7,8)18(3,4)5/h9,11,13,15-16H,1,10,12H2,2-8H3/t15-,16-,19-/m1/s1.
What are the key properties of [(3aS,6R,7aR)-3a-methyl-6-prop-1-en-2-yl-1,6,7,7a-tetrahydroinden-4-yl]oxy-tert-butyl-dimethylsilane?
[(3aS,6R,7aR)-3a-methyl-6-prop-1-en-2-yl-1,6,7,7a-tetrahydroinden-4-yl]oxy-tert-butyl-dimethylsilane has a molecular weight of 304.55 g/mol, XLogP of 6.07, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(3aS,6R,7aR)-3a-methyl-6-prop-1-en-2-yl-1,6,7,7a-tetrahydroinden-4-yl]oxy-tert-butyl-dimethylsilane is sourced from PubChem (CID 11289704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).