[(1Z)-1-[4,4-bis(methoxymethyl)-2-methylcyclopentylidene]ethyl]-triethylsilane

C18H36O2Si — CID 101229219

IUPAC[(1Z)-1-[4,4-bis(methoxymethyl)-2-methylcyclopentylidene]ethyl]-triethylsilane
SMILESCC[Si](CC)(CC)/C(C)=C1/CC(COC)(COC)CC1C
InChIInChI=1S/C18H36O2Si/c1-8-21(9-2,10-3)16(5)17-12-18(13-19-6,14-20-7)11-15(17)4/h15H,8-14H2,1-7H3/b17-16-
InChIKeyBGYDRYSZTZCDOA-MSUUIHNZSA-N
MW312.57 g/mol
LogP5.06
Rot. Bonds8

About [(1Z)-1-[4,4-bis(methoxymethyl)-2-methylcyclopentylidene]ethyl]-triethylsilane

[(1Z)-1-[4,4-bis(methoxymethyl)-2-methylcyclopentylidene]ethyl]-triethylsilane (PubChem CID 101229219) has the molecular formula C18H36O2Si and a molecular weight of 312.57 g/mol. Its IUPAC name is [(1Z)-1-[4,4-bis(methoxymethyl)-2-methylcyclopentylidene]ethyl]-triethylsilane.

Molecular Properties

Compound Name[(1Z)-1-[4,4-bis(methoxymethyl)-2-methylcyclopentylidene]ethyl]-triethylsilane
PubChem CID101229219
Molecular FormulaC18H36O2Si
Molecular Weight312.57 g/mol
Exact Mass312.25
IUPAC Name[(1Z)-1-[4,4-bis(methoxymethyl)-2-methylcyclopentylidene]ethyl]-triethylsilane
SMILESCC[Si](CC)(CC)/C(C)=C1/CC(COC)(COC)CC1C
InChIInChI=1S/C18H36O2Si/c1-8-21(9-2,10-3)16(5)17-12-18(13-19-6,14-20-7)11-15(17)4/h15H,8-14H2,1-7H3/b17-16-
InChIKeyBGYDRYSZTZCDOA-MSUUIHNZSA-N
XLogP5.06
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500312.57
LogP ≤ 55.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 [(1Z)-1-[4,4-bis(methoxymethyl)-2-methylcyclopentylidene]ethyl]-triethylsilane?
The IUPAC name of [(1Z)-1-[4,4-bis(methoxymethyl)-2-methylcyclopentylidene]ethyl]-triethylsilane (CID 101229219) is [(1Z)-1-[4,4-bis(methoxymethyl)-2-methylcyclopentylidene]ethyl]-triethylsilane.
What is the SMILES notation for [(1Z)-1-[4,4-bis(methoxymethyl)-2-methylcyclopentylidene]ethyl]-triethylsilane?
The canonical SMILES for [(1Z)-1-[4,4-bis(methoxymethyl)-2-methylcyclopentylidene]ethyl]-triethylsilane is CC[Si](CC)(CC)/C(C)=C1/CC(COC)(COC)CC1C.
What is the InChIKey of [(1Z)-1-[4,4-bis(methoxymethyl)-2-methylcyclopentylidene]ethyl]-triethylsilane?
The InChIKey is BGYDRYSZTZCDOA-MSUUIHNZSA-N. The full InChI is InChI=1S/C18H36O2Si/c1-8-21(9-2,10-3)16(5)17-12-18(13-19-6,14-20-7)11-15(17)4/h15H,8-14H2,1-7H3/b17-16-.
What are the key properties of [(1Z)-1-[4,4-bis(methoxymethyl)-2-methylcyclopentylidene]ethyl]-triethylsilane?
[(1Z)-1-[4,4-bis(methoxymethyl)-2-methylcyclopentylidene]ethyl]-triethylsilane has a molecular weight of 312.57 g/mol, XLogP of 5.06, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1Z)-1-[4,4-bis(methoxymethyl)-2-methylcyclopentylidene]ethyl]-triethylsilane is sourced from PubChem (CID 101229219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).