dimethyl-[2-methylidene-4-(3-methyloxiran-2-yl)-3-phenylbutyl]-phenylsilane

C22H28OSi — CID 102172890

IUPACdimethyl-[2-methylidene-4-(3-methyloxiran-2-yl)-3-phenylbutyl]-phenylsilane
SMILESC=C(C[Si](C)(C)c1ccccc1)C(CC1OC1C)c1ccccc1
InChIInChI=1S/C22H28OSi/c1-17(16-24(3,4)20-13-9-6-10-14-20)21(15-22-18(2)23-22)19-11-7-5-8-12-19/h5-14,18,21-22H,1,15-16H2,2-4H3
InChIKeyAZAMRPKDLGFQOP-UHFFFAOYSA-N
MW336.55 g/mol
LogP5.12
Rot. Bonds7

About dimethyl-[2-methylidene-4-(3-methyloxiran-2-yl)-3-phenylbutyl]-phenylsilane

dimethyl-[2-methylidene-4-(3-methyloxiran-2-yl)-3-phenylbutyl]-phenylsilane (PubChem CID 102172890) has the molecular formula C22H28OSi and a molecular weight of 336.55 g/mol. Its IUPAC name is dimethyl-[2-methylidene-4-(3-methyloxiran-2-yl)-3-phenylbutyl]-phenylsilane.

Molecular Properties

Compound Namedimethyl-[2-methylidene-4-(3-methyloxiran-2-yl)-3-phenylbutyl]-phenylsilane
PubChem CID102172890
Molecular FormulaC22H28OSi
Molecular Weight336.55 g/mol
Exact Mass336.19
IUPAC Namedimethyl-[2-methylidene-4-(3-methyloxiran-2-yl)-3-phenylbutyl]-phenylsilane
SMILESC=C(C[Si](C)(C)c1ccccc1)C(CC1OC1C)c1ccccc1
InChIInChI=1S/C22H28OSi/c1-17(16-24(3,4)20-13-9-6-10-14-20)21(15-22-18(2)23-22)19-11-7-5-8-12-19/h5-14,18,21-22H,1,15-16H2,2-4H3
InChIKeyAZAMRPKDLGFQOP-UHFFFAOYSA-N
XLogP5.12
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.55
LogP ≤ 55.12
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'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

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[2-(4-chlorophenyl)-4-methylpent-4-enyl]-dimethyl-phenylsilane
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Frequently Asked Questions

What is the IUPAC name of dimethyl-[2-methylidene-4-(3-methyloxiran-2-yl)-3-phenylbutyl]-phenylsilane?
The IUPAC name of dimethyl-[2-methylidene-4-(3-methyloxiran-2-yl)-3-phenylbutyl]-phenylsilane (CID 102172890) is dimethyl-[2-methylidene-4-(3-methyloxiran-2-yl)-3-phenylbutyl]-phenylsilane.
What is the SMILES notation for dimethyl-[2-methylidene-4-(3-methyloxiran-2-yl)-3-phenylbutyl]-phenylsilane?
The canonical SMILES for dimethyl-[2-methylidene-4-(3-methyloxiran-2-yl)-3-phenylbutyl]-phenylsilane is C=C(C[Si](C)(C)c1ccccc1)C(CC1OC1C)c1ccccc1.
What is the InChIKey of dimethyl-[2-methylidene-4-(3-methyloxiran-2-yl)-3-phenylbutyl]-phenylsilane?
The InChIKey is AZAMRPKDLGFQOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28OSi/c1-17(16-24(3,4)20-13-9-6-10-14-20)21(15-22-18(2)23-22)19-11-7-5-8-12-19/h5-14,18,21-22H,1,15-16H2,2-4H3.
What are the key properties of dimethyl-[2-methylidene-4-(3-methyloxiran-2-yl)-3-phenylbutyl]-phenylsilane?
dimethyl-[2-methylidene-4-(3-methyloxiran-2-yl)-3-phenylbutyl]-phenylsilane has a molecular weight of 336.55 g/mol, XLogP of 5.12, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl-[2-methylidene-4-(3-methyloxiran-2-yl)-3-phenylbutyl]-phenylsilane is sourced from PubChem (CID 102172890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).