(3aS,7aS)-3a-methyl-3-(trimethylsilylmethylidene)-1,2,5,6,7,7a-hexahydroinden-4-one

C14H24OSi — CID 134965513

IUPAC(3aS,7aS)-3a-methyl-3-(trimethylsilylmethylidene)-1,2,5,6,7,7a-hexahydroinden-4-one
SMILESC[C@]12C(=O)CCC[C@H]1CCC2=C[Si](C)(C)C
InChIInChI=1S/C14H24OSi/c1-14-11(6-5-7-13(14)15)8-9-12(14)10-16(2,3)4/h10-11H,5-9H2,1-4H3/t11-,14-/m0/s1
InChIKeyYSMDDTPAVUBRQS-FZMZJTMJSA-N
MW236.43 g/mol
LogP3.96
Rot. Bonds1

About (3aS,7aS)-3a-methyl-3-(trimethylsilylmethylidene)-1,2,5,6,7,7a-hexahydroinden-4-one

(3aS,7aS)-3a-methyl-3-(trimethylsilylmethylidene)-1,2,5,6,7,7a-hexahydroinden-4-one (PubChem CID 134965513) has the molecular formula C14H24OSi and a molecular weight of 236.43 g/mol. Its IUPAC name is (3aS,7aS)-3a-methyl-3-(trimethylsilylmethylidene)-1,2,5,6,7,7a-hexahydroinden-4-one.

Molecular Properties

Compound Name(3aS,7aS)-3a-methyl-3-(trimethylsilylmethylidene)-1,2,5,6,7,7a-hexahydroinden-4-one
PubChem CID134965513
Molecular FormulaC14H24OSi
Molecular Weight236.43 g/mol
Exact Mass236.16
IUPAC Name(3aS,7aS)-3a-methyl-3-(trimethylsilylmethylidene)-1,2,5,6,7,7a-hexahydroinden-4-one
SMILESC[C@]12C(=O)CCC[C@H]1CCC2=C[Si](C)(C)C
InChIInChI=1S/C14H24OSi/c1-14-11(6-5-7-13(14)15)8-9-12(14)10-16(2,3)4/h10-11H,5-9H2,1-4H3/t11-,14-/m0/s1
InChIKeyYSMDDTPAVUBRQS-FZMZJTMJSA-N
XLogP3.96
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.43
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3aS,7aS)-3a-methyl-3-(trimethylsilylmethylidene)-1,2,5,6,7,7a-hexahydroinden-4-one?
The IUPAC name of (3aS,7aS)-3a-methyl-3-(trimethylsilylmethylidene)-1,2,5,6,7,7a-hexahydroinden-4-one (CID 134965513) is (3aS,7aS)-3a-methyl-3-(trimethylsilylmethylidene)-1,2,5,6,7,7a-hexahydroinden-4-one.
What is the SMILES notation for (3aS,7aS)-3a-methyl-3-(trimethylsilylmethylidene)-1,2,5,6,7,7a-hexahydroinden-4-one?
The canonical SMILES for (3aS,7aS)-3a-methyl-3-(trimethylsilylmethylidene)-1,2,5,6,7,7a-hexahydroinden-4-one is C[C@]12C(=O)CCC[C@H]1CCC2=C[Si](C)(C)C.
What is the InChIKey of (3aS,7aS)-3a-methyl-3-(trimethylsilylmethylidene)-1,2,5,6,7,7a-hexahydroinden-4-one?
The InChIKey is YSMDDTPAVUBRQS-FZMZJTMJSA-N. The full InChI is InChI=1S/C14H24OSi/c1-14-11(6-5-7-13(14)15)8-9-12(14)10-16(2,3)4/h10-11H,5-9H2,1-4H3/t11-,14-/m0/s1.
What are the key properties of (3aS,7aS)-3a-methyl-3-(trimethylsilylmethylidene)-1,2,5,6,7,7a-hexahydroinden-4-one?
(3aS,7aS)-3a-methyl-3-(trimethylsilylmethylidene)-1,2,5,6,7,7a-hexahydroinden-4-one has a molecular weight of 236.43 g/mol, XLogP of 3.96, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3aS,7aS)-3a-methyl-3-(trimethylsilylmethylidene)-1,2,5,6,7,7a-hexahydroinden-4-one is sourced from PubChem (CID 134965513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).