tert-butyl-dimethyl-[3-(3-oxaspiro[5.5]undecan-9-ylidene)propoxy]silane

C19H36O2Si — CID 178132600

IUPACtert-butyl-dimethyl-[3-(3-oxaspiro[5.5]undecan-9-ylidene)propoxy]silane
SMILESCC(C)(C)[Si](C)(C)OCCC=C1CCC2(CCOCC2)CC1
InChIInChI=1S/C19H36O2Si/c1-18(2,3)22(4,5)21-14-6-7-17-8-10-19(11-9-17)12-15-20-16-13-19/h7H,6,8-16H2,1-5H3
InChIKeyGILXQPARFMVTDO-UHFFFAOYSA-N
MW324.58 g/mol
LogP5.70
Rot. Bonds4

About tert-butyl-dimethyl-[3-(3-oxaspiro[5.5]undecan-9-ylidene)propoxy]silane

tert-butyl-dimethyl-[3-(3-oxaspiro[5.5]undecan-9-ylidene)propoxy]silane (PubChem CID 178132600) has the molecular formula C19H36O2Si and a molecular weight of 324.58 g/mol. Its IUPAC name is tert-butyl-dimethyl-[3-(3-oxaspiro[5.5]undecan-9-ylidene)propoxy]silane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[3-(3-oxaspiro[5.5]undecan-9-ylidene)propoxy]silane
PubChem CID178132600
Molecular FormulaC19H36O2Si
Molecular Weight324.58 g/mol
Exact Mass324.25
IUPAC Nametert-butyl-dimethyl-[3-(3-oxaspiro[5.5]undecan-9-ylidene)propoxy]silane
SMILESCC(C)(C)[Si](C)(C)OCCC=C1CCC2(CCOCC2)CC1
InChIInChI=1S/C19H36O2Si/c1-18(2,3)22(4,5)21-14-6-7-17-8-10-19(11-9-17)12-15-20-16-13-19/h7H,6,8-16H2,1-5H3
InChIKeyGILXQPARFMVTDO-UHFFFAOYSA-N
XLogP5.70
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 ≤ 55.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[3-[(E)-6-(5-methoxycyclohexen-1-yl)-3-methylhex-3-enyl]-3-methylcyclohexen-1-yl]oxy-trimethylsilane
CID 21578153
tert-butyl-[(1S,3Z,5R)-5-[tert-butyl(dimethyl)silyl]-2-methylidene-3-[(2E)-2-[(3R)-3-methyl-3-[2-(3-methylbutoxy)ethyl]cyclohexylidene]ethylidene]cyclohexyl]oxy-dimethylsilane
CID 59054927
tert-butyl-[(1R,3S,5E)-3-[tert-butyl(dimethyl)silyl]-4-methylidene-5-[(2E)-2-[(3R)-3-methyl-3-[2-(3-methylbutoxy)ethyl]cyclohexylidene]ethylidene]cyclohexyl]oxy-dimethylsilane
CID 59054979
tert-butyl-[(1S,5R)-5-[tert-butyl(dimethyl)silyl]-2-methylidene-3-[2-[(3R)-3-methyl-3-[2-(3-methylbutoxy)ethyl]cyclohexylidene]ethylidene]cyclohexyl]oxy-dimethylsilane
CID 91502366
Tert-butyl-dimethyl-spiro[5.5]undec-2-en-5-yloxysilane
CID 173552056
2-(2-Cyclohex-3-en-1-ylethyl)-1,1,2-triethoxysilinane
CID 174290806
2-[2-(Cyclohexen-1-yl)ethyl]-1,1,2-triethoxysilinane
CID 174788329
Triethyl-[[3-methyl-1-(4-methylpent-4-enyl)cyclohex-2-en-1-yl]methoxy]silane
CID 10687330
2-[(1S,2S,5R,8aR)-1,2,5-trimethyl-5-(4-methylpent-4-enyl)-2,3,6,7,8,8a-hexahydronaphthalen-1-yl]ethoxy-tri(propan-2-yl)silane
CID 10695300
2-[2-(Cyclohexen-1-yl)hexoxy]ethyl-trimethylsilane
CID 11748028
2-[(2R)-2-(cyclohexen-1-yl)hexoxy]ethyl-trimethylsilane
CID 101047588
(1-But-3-enyl-2,6-dimethylidenecyclohexyl)methoxy-tert-butyl-dimethylsilane
CID 101240481

Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-[3-(3-oxaspiro[5.5]undecan-9-ylidene)propoxy]silane?
The IUPAC name of tert-butyl-dimethyl-[3-(3-oxaspiro[5.5]undecan-9-ylidene)propoxy]silane (CID 178132600) is tert-butyl-dimethyl-[3-(3-oxaspiro[5.5]undecan-9-ylidene)propoxy]silane.
What is the SMILES notation for tert-butyl-dimethyl-[3-(3-oxaspiro[5.5]undecan-9-ylidene)propoxy]silane?
The canonical SMILES for tert-butyl-dimethyl-[3-(3-oxaspiro[5.5]undecan-9-ylidene)propoxy]silane is CC(C)(C)[Si](C)(C)OCCC=C1CCC2(CCOCC2)CC1.
What is the InChIKey of tert-butyl-dimethyl-[3-(3-oxaspiro[5.5]undecan-9-ylidene)propoxy]silane?
The InChIKey is GILXQPARFMVTDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H36O2Si/c1-18(2,3)22(4,5)21-14-6-7-17-8-10-19(11-9-17)12-15-20-16-13-19/h7H,6,8-16H2,1-5H3.
What are the key properties of tert-butyl-dimethyl-[3-(3-oxaspiro[5.5]undecan-9-ylidene)propoxy]silane?
tert-butyl-dimethyl-[3-(3-oxaspiro[5.5]undecan-9-ylidene)propoxy]silane has a molecular weight of 324.58 g/mol, XLogP of 5.70, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[3-(3-oxaspiro[5.5]undecan-9-ylidene)propoxy]silane is sourced from PubChem (CID 178132600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).