2-(2-bicyclo[2.2.1]hept-5-enyl)ethyl-[bis(2-methylprop-1-enylsilyloxy)methoxy]silane

C18H34O3Si3 — CID 154440834

IUPAC2-(2-bicyclo[2.2.1]hept-5-enyl)ethyl-[bis(2-methylprop-1-enylsilyloxy)methoxy]silane
SMILESCC(C)=C[SiH2]OC(O[SiH2]C=C(C)C)O[SiH2]CCC1CC2C=CC1C2
InChIInChI=1S/C18H34O3Si3/c1-13(2)11-23-20-18(21-24-12-14(3)4)19-22-8-7-17-10-15-5-6-16(17)9-15/h5-6,11-12,15-18H,7-10,22-24H2,1-4H3
InChIKeyNSJHXULULOHNEJ-UHFFFAOYSA-N
MW382.73 g/mol
LogP2.44
Rot. Bonds11

About 2-(2-bicyclo[2.2.1]hept-5-enyl)ethyl-[bis(2-methylprop-1-enylsilyloxy)methoxy]silane

2-(2-bicyclo[2.2.1]hept-5-enyl)ethyl-[bis(2-methylprop-1-enylsilyloxy)methoxy]silane (PubChem CID 154440834) has the molecular formula C18H34O3Si3 and a molecular weight of 382.73 g/mol. Its IUPAC name is 2-(2-bicyclo[2.2.1]hept-5-enyl)ethyl-[bis(2-methylprop-1-enylsilyloxy)methoxy]silane.

Molecular Properties

Compound Name2-(2-bicyclo[2.2.1]hept-5-enyl)ethyl-[bis(2-methylprop-1-enylsilyloxy)methoxy]silane
PubChem CID154440834
Molecular FormulaC18H34O3Si3
Molecular Weight382.73 g/mol
Exact Mass382.18
IUPAC Name2-(2-bicyclo[2.2.1]hept-5-enyl)ethyl-[bis(2-methylprop-1-enylsilyloxy)methoxy]silane
SMILESCC(C)=C[SiH2]OC(O[SiH2]C=C(C)C)O[SiH2]CCC1CC2C=CC1C2
InChIInChI=1S/C18H34O3Si3/c1-13(2)11-23-20-18(21-24-12-14(3)4)19-22-8-7-17-10-15-5-6-16(17)9-15/h5-6,11-12,15-18H,7-10,22-24H2,1-4H3
InChIKeyNSJHXULULOHNEJ-UHFFFAOYSA-N
XLogP2.44
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.73
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-(2-bicyclo[2.2.1]hept-5-enyl)ethyl-(2,2-diethoxyethyl)silane
CID 123914409
2-(2-bicyclo[2.2.1]hept-5-enyl)ethyl-silyloxysilyloxysilane
CID 154097521
5-[2-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]bicyclo[2.2.1]hept-2-ene
CID 160903518
2-bicyclo[2.2.1]hept-5-enyl-methoxy-bis(2-methylprop-1-enylsilyloxy)silane
CID 172765668
5-(2-methylpropyl)bicyclo[2.2.1]hept-2-ene
CID 21079931
7-(2-bicyclo[2.2.1]hept-5-enyl)heptyl acetate
CID 59748148
(1R,4R)-5-butylbicyclo[2.2.1]hept-2-ene
CID 55250323
2-[(1S,2R,4R)-2-bicyclo[2.2.1]hept-5-enyl]ethyl-trimethoxysilane
CID 124630606
2-[(1R,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]ethanamine
CID 98147464
10-(2-bicyclo[2.2.1]hept-5-enyl)decan-2-one
CID 59748068
5-[10-(2-bicyclo[2.2.1]hept-5-enyl)-3,8-dimethyldecyl]bicyclo[2.2.1]hept-2-ene
CID 140644902
(1S,4S,5R)-5-ethylbicyclo[2.2.1]hept-2-ene
CID 96570682

Frequently Asked Questions

What is the IUPAC name of 2-(2-bicyclo[2.2.1]hept-5-enyl)ethyl-[bis(2-methylprop-1-enylsilyloxy)methoxy]silane?
The IUPAC name of 2-(2-bicyclo[2.2.1]hept-5-enyl)ethyl-[bis(2-methylprop-1-enylsilyloxy)methoxy]silane (CID 154440834) is 2-(2-bicyclo[2.2.1]hept-5-enyl)ethyl-[bis(2-methylprop-1-enylsilyloxy)methoxy]silane.
What is the SMILES notation for 2-(2-bicyclo[2.2.1]hept-5-enyl)ethyl-[bis(2-methylprop-1-enylsilyloxy)methoxy]silane?
The canonical SMILES for 2-(2-bicyclo[2.2.1]hept-5-enyl)ethyl-[bis(2-methylprop-1-enylsilyloxy)methoxy]silane is CC(C)=C[SiH2]OC(O[SiH2]C=C(C)C)O[SiH2]CCC1CC2C=CC1C2.
What is the InChIKey of 2-(2-bicyclo[2.2.1]hept-5-enyl)ethyl-[bis(2-methylprop-1-enylsilyloxy)methoxy]silane?
The InChIKey is NSJHXULULOHNEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34O3Si3/c1-13(2)11-23-20-18(21-24-12-14(3)4)19-22-8-7-17-10-15-5-6-16(17)9-15/h5-6,11-12,15-18H,7-10,22-24H2,1-4H3.
What are the key properties of 2-(2-bicyclo[2.2.1]hept-5-enyl)ethyl-[bis(2-methylprop-1-enylsilyloxy)methoxy]silane?
2-(2-bicyclo[2.2.1]hept-5-enyl)ethyl-[bis(2-methylprop-1-enylsilyloxy)methoxy]silane has a molecular weight of 382.73 g/mol, XLogP of 2.44, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bicyclo[2.2.1]hept-5-enyl)ethyl-[bis(2-methylprop-1-enylsilyloxy)methoxy]silane is sourced from PubChem (CID 154440834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).