triethyl-[(1Z)-1-(2,8,8-trimethyl-7,9-dioxaspiro[4.5]decan-3-ylidene)ethyl]silane

C19H36O2Si — CID 11771704

IUPACtriethyl-[(1Z)-1-(2,8,8-trimethyl-7,9-dioxaspiro[4.5]decan-3-ylidene)ethyl]silane
SMILESCC[Si](CC)(CC)/C(C)=C1/CC2(COC(C)(C)OC2)CC1C
InChIInChI=1S/C19H36O2Si/c1-8-22(9-2,10-3)16(5)17-12-19(11-15(17)4)13-20-18(6,7)21-14-19/h15H,8-14H2,1-7H3/b17-16-
InChIKeyPNNMMJLQQIDWNO-MSUUIHNZSA-N
MW324.58 g/mol
LogP5.55
Rot. Bonds4

About triethyl-[(1Z)-1-(2,8,8-trimethyl-7,9-dioxaspiro[4.5]decan-3-ylidene)ethyl]silane

triethyl-[(1Z)-1-(2,8,8-trimethyl-7,9-dioxaspiro[4.5]decan-3-ylidene)ethyl]silane (PubChem CID 11771704) has the molecular formula C19H36O2Si and a molecular weight of 324.58 g/mol. Its IUPAC name is triethyl-[(1Z)-1-(2,8,8-trimethyl-7,9-dioxaspiro[4.5]decan-3-ylidene)ethyl]silane.

Molecular Properties

Compound Nametriethyl-[(1Z)-1-(2,8,8-trimethyl-7,9-dioxaspiro[4.5]decan-3-ylidene)ethyl]silane
PubChem CID11771704
Molecular FormulaC19H36O2Si
Molecular Weight324.58 g/mol
Exact Mass324.25
IUPAC Nametriethyl-[(1Z)-1-(2,8,8-trimethyl-7,9-dioxaspiro[4.5]decan-3-ylidene)ethyl]silane
SMILESCC[Si](CC)(CC)/C(C)=C1/CC2(COC(C)(C)OC2)CC1C
InChIInChI=1S/C19H36O2Si/c1-8-22(9-2,10-3)16(5)17-12-19(11-15(17)4)13-20-18(6,7)21-14-19/h15H,8-14H2,1-7H3/b17-16-
InChIKeyPNNMMJLQQIDWNO-MSUUIHNZSA-N
XLogP5.55
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.58
LogP ≤ 55.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[(1Z)-1-[4,4-bis(methoxymethyl)-2-methylcyclopentylidene]ethyl]-triethylsilane
CID 101229219
[(Z)-[8,8-dimethyl-2-(tributylstannylmethyl)-7,9-dioxaspiro[4.5]decan-3-ylidene]methyl]-trimethylsilane
CID 164687056
[(Z)-(8,8-dimethyl-2-methylidene-7,9-dioxaspiro[4.5]decan-3-ylidene)methyl]-triethylsilane
CID 11381295
[(E)-(8,8-dimethyl-2-methylidene-7,9-dioxaspiro[4.5]decan-3-ylidene)methyl]-triethylsilane
CID 101130873

Frequently Asked Questions

What is the IUPAC name of triethyl-[(1Z)-1-(2,8,8-trimethyl-7,9-dioxaspiro[4.5]decan-3-ylidene)ethyl]silane?
The IUPAC name of triethyl-[(1Z)-1-(2,8,8-trimethyl-7,9-dioxaspiro[4.5]decan-3-ylidene)ethyl]silane (CID 11771704) is triethyl-[(1Z)-1-(2,8,8-trimethyl-7,9-dioxaspiro[4.5]decan-3-ylidene)ethyl]silane.
What is the SMILES notation for triethyl-[(1Z)-1-(2,8,8-trimethyl-7,9-dioxaspiro[4.5]decan-3-ylidene)ethyl]silane?
The canonical SMILES for triethyl-[(1Z)-1-(2,8,8-trimethyl-7,9-dioxaspiro[4.5]decan-3-ylidene)ethyl]silane is CC[Si](CC)(CC)/C(C)=C1/CC2(COC(C)(C)OC2)CC1C.
What is the InChIKey of triethyl-[(1Z)-1-(2,8,8-trimethyl-7,9-dioxaspiro[4.5]decan-3-ylidene)ethyl]silane?
The InChIKey is PNNMMJLQQIDWNO-MSUUIHNZSA-N. The full InChI is InChI=1S/C19H36O2Si/c1-8-22(9-2,10-3)16(5)17-12-19(11-15(17)4)13-20-18(6,7)21-14-19/h15H,8-14H2,1-7H3/b17-16-.
What are the key properties of triethyl-[(1Z)-1-(2,8,8-trimethyl-7,9-dioxaspiro[4.5]decan-3-ylidene)ethyl]silane?
triethyl-[(1Z)-1-(2,8,8-trimethyl-7,9-dioxaspiro[4.5]decan-3-ylidene)ethyl]silane has a molecular weight of 324.58 g/mol, XLogP of 5.55, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for triethyl-[(1Z)-1-(2,8,8-trimethyl-7,9-dioxaspiro[4.5]decan-3-ylidene)ethyl]silane is sourced from PubChem (CID 11771704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).