1-methoxy-3-[(E)-1-methoxyprop-1-en-2-yl]-3a,7-dimethyl-2-trimethylsilyl-4H-inden-5-one

C19H28O3Si — CID 11110382

IUPAC1-methoxy-3-[(E)-1-methoxyprop-1-en-2-yl]-3a,7-dimethyl-2-trimethylsilyl-4H-inden-5-one
SMILESCO/C=C(\C)C1=C([Si](C)(C)C)C(OC)=C2C(C)=CC(=O)CC21C
InChIInChI=1S/C19H28O3Si/c1-12-9-14(20)10-19(3)15(12)17(22-5)18(23(6,7)8)16(19)13(2)11-21-4/h9,11H,10H2,1-8H3/b13-11+
InChIKeyNXWUZBXKHFBNSP-ACCUITESSA-N
MW332.52 g/mol
LogP4.55
Rot. Bonds4

About 1-methoxy-3-[(E)-1-methoxyprop-1-en-2-yl]-3a,7-dimethyl-2-trimethylsilyl-4H-inden-5-one

1-methoxy-3-[(E)-1-methoxyprop-1-en-2-yl]-3a,7-dimethyl-2-trimethylsilyl-4H-inden-5-one (PubChem CID 11110382) has the molecular formula C19H28O3Si and a molecular weight of 332.52 g/mol. Its IUPAC name is 1-methoxy-3-[(E)-1-methoxyprop-1-en-2-yl]-3a,7-dimethyl-2-trimethylsilyl-4H-inden-5-one.

Molecular Properties

Compound Name1-methoxy-3-[(E)-1-methoxyprop-1-en-2-yl]-3a,7-dimethyl-2-trimethylsilyl-4H-inden-5-one
PubChem CID11110382
Molecular FormulaC19H28O3Si
Molecular Weight332.52 g/mol
Exact Mass332.18
IUPAC Name1-methoxy-3-[(E)-1-methoxyprop-1-en-2-yl]-3a,7-dimethyl-2-trimethylsilyl-4H-inden-5-one
SMILESCO/C=C(\C)C1=C([Si](C)(C)C)C(OC)=C2C(C)=CC(=O)CC21C
InChIInChI=1S/C19H28O3Si/c1-12-9-14(20)10-19(3)15(12)17(22-5)18(23(6,7)8)16(19)13(2)11-21-4/h9,11H,10H2,1-8H3/b13-11+
InChIKeyNXWUZBXKHFBNSP-ACCUITESSA-N
XLogP4.55
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.52
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-methoxy-3-[(E)-1-methoxyprop-1-en-2-yl]-3a,7-dimethyl-2-trimethylsilyl-4H-inden-5-one?
The IUPAC name of 1-methoxy-3-[(E)-1-methoxyprop-1-en-2-yl]-3a,7-dimethyl-2-trimethylsilyl-4H-inden-5-one (CID 11110382) is 1-methoxy-3-[(E)-1-methoxyprop-1-en-2-yl]-3a,7-dimethyl-2-trimethylsilyl-4H-inden-5-one.
What is the SMILES notation for 1-methoxy-3-[(E)-1-methoxyprop-1-en-2-yl]-3a,7-dimethyl-2-trimethylsilyl-4H-inden-5-one?
The canonical SMILES for 1-methoxy-3-[(E)-1-methoxyprop-1-en-2-yl]-3a,7-dimethyl-2-trimethylsilyl-4H-inden-5-one is CO/C=C(\C)C1=C([Si](C)(C)C)C(OC)=C2C(C)=CC(=O)CC21C.
What is the InChIKey of 1-methoxy-3-[(E)-1-methoxyprop-1-en-2-yl]-3a,7-dimethyl-2-trimethylsilyl-4H-inden-5-one?
The InChIKey is NXWUZBXKHFBNSP-ACCUITESSA-N. The full InChI is InChI=1S/C19H28O3Si/c1-12-9-14(20)10-19(3)15(12)17(22-5)18(23(6,7)8)16(19)13(2)11-21-4/h9,11H,10H2,1-8H3/b13-11+.
What are the key properties of 1-methoxy-3-[(E)-1-methoxyprop-1-en-2-yl]-3a,7-dimethyl-2-trimethylsilyl-4H-inden-5-one?
1-methoxy-3-[(E)-1-methoxyprop-1-en-2-yl]-3a,7-dimethyl-2-trimethylsilyl-4H-inden-5-one has a molecular weight of 332.52 g/mol, XLogP of 4.55, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-3-[(E)-1-methoxyprop-1-en-2-yl]-3a,7-dimethyl-2-trimethylsilyl-4H-inden-5-one is sourced from PubChem (CID 11110382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).