trimethyl-[[(1R,4S)-1,7,7-trimethyl-3-trimethylsilyloxy-2-bicyclo[2.2.1]hept-2-enyl]oxy]silane

C16H32O2Si2 — CID 11347501

IUPACtrimethyl-[[(1R,4S)-1,7,7-trimethyl-3-trimethylsilyloxy-2-bicyclo[2.2.1]hept-2-enyl]oxy]silane
SMILESCC1(C)[C@@H]2CC[C@@]1(C)C(O[Si](C)(C)C)=C2O[Si](C)(C)C
InChIInChI=1S/C16H32O2Si2/c1-15(2)12-10-11-16(15,3)14(18-20(7,8)9)13(12)17-19(4,5)6/h12H,10-11H2,1-9H3/t12-,16+/m1/s1
InChIKeyAYWIHLVSPVPYQC-WBMJQRKESA-N
MW312.60 g/mol
LogP5.36
Rot. Bonds4

About trimethyl-[[(1R,4S)-1,7,7-trimethyl-3-trimethylsilyloxy-2-bicyclo[2.2.1]hept-2-enyl]oxy]silane

trimethyl-[[(1R,4S)-1,7,7-trimethyl-3-trimethylsilyloxy-2-bicyclo[2.2.1]hept-2-enyl]oxy]silane (PubChem CID 11347501) has the molecular formula C16H32O2Si2 and a molecular weight of 312.60 g/mol. Its IUPAC name is trimethyl-[[(1R,4S)-1,7,7-trimethyl-3-trimethylsilyloxy-2-bicyclo[2.2.1]hept-2-enyl]oxy]silane.

Molecular Properties

Compound Nametrimethyl-[[(1R,4S)-1,7,7-trimethyl-3-trimethylsilyloxy-2-bicyclo[2.2.1]hept-2-enyl]oxy]silane
PubChem CID11347501
Molecular FormulaC16H32O2Si2
Molecular Weight312.60 g/mol
Exact Mass312.19
IUPAC Nametrimethyl-[[(1R,4S)-1,7,7-trimethyl-3-trimethylsilyloxy-2-bicyclo[2.2.1]hept-2-enyl]oxy]silane
SMILESCC1(C)[C@@H]2CC[C@@]1(C)C(O[Si](C)(C)C)=C2O[Si](C)(C)C
InChIInChI=1S/C16H32O2Si2/c1-15(2)12-10-11-16(15,3)14(18-20(7,8)9)13(12)17-19(4,5)6/h12H,10-11H2,1-9H3/t12-,16+/m1/s1
InChIKeyAYWIHLVSPVPYQC-WBMJQRKESA-N
XLogP5.36
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500312.60
LogP ≤ 55.36
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

[(1S,4R)-4,7,7-trimethyl-3-trimethylsilyloxy-2-bicyclo[2.2.1]hept-2-enyl] tellurocyanate
CID 10248995
(1R,4S)-1,7,7-trimethyl-2,3-dimethylidenebicyclo[2.2.1]heptane
CID 101254868
(1R,8S)-1,11,11-trimethyl-3,4,6-triazatricyclo[6.2.1.02,7]undeca-2,6-diene-5-thione
CID 40559232
(1S,8R)-1,11,11-trimethyl-3,4,6-triazatricyclo[6.2.1.02,7]undeca-2,6-diene-5-thione
CID 40559244
(1S,2S,6R,7R)-8,9-bis(trimethylsilyloxy)-4-oxatricyclo[5.2.2.02,6]undec-8-ene-3,5-dione
CID 12528306
(3-bromo-1,7,7-trimethyl-2-bicyclo[2.2.1]hept-2-enyl) trifluoromethanesulfonate
CID 59390119
1,8,8-trimethylbicyclo[3.2.1]octane-2,3,4-trione
CID 13087895
[(1R,4S)-3-bromo-1,7,7-trimethyl-2-bicyclo[2.2.1]hept-2-enyl] diethyl phosphate
CID 10642709
(1S,7R)-3-bromo-7,10,10-trimethyl-4-oxa-3λ4-selena-5-azatricyclo[5.2.1.02,6]deca-2,5-diene
CID 11023729
3-chloro-1,7,7-trimethylbicyclo[2.2.1]hept-2-en-2-amine
CID 170394374
(1R,3Z,4R)-1,7,7-trimethyl-3-[(2Z)-2-[(1S,4R)-4,7,7-trimethyl-3-oxo-2-bicyclo[2.2.1]heptanylidene]ethylidene]bicyclo[2.2.1]heptan-2-one
CID 98103030
(1R,3E,4S)-1,7,7-trimethyl-3-propylidenebicyclo[2.2.1]heptan-2-one
CID 7159050

Frequently Asked Questions

What is the IUPAC name of trimethyl-[[(1R,4S)-1,7,7-trimethyl-3-trimethylsilyloxy-2-bicyclo[2.2.1]hept-2-enyl]oxy]silane?
The IUPAC name of trimethyl-[[(1R,4S)-1,7,7-trimethyl-3-trimethylsilyloxy-2-bicyclo[2.2.1]hept-2-enyl]oxy]silane (CID 11347501) is trimethyl-[[(1R,4S)-1,7,7-trimethyl-3-trimethylsilyloxy-2-bicyclo[2.2.1]hept-2-enyl]oxy]silane.
What is the SMILES notation for trimethyl-[[(1R,4S)-1,7,7-trimethyl-3-trimethylsilyloxy-2-bicyclo[2.2.1]hept-2-enyl]oxy]silane?
The canonical SMILES for trimethyl-[[(1R,4S)-1,7,7-trimethyl-3-trimethylsilyloxy-2-bicyclo[2.2.1]hept-2-enyl]oxy]silane is CC1(C)[C@@H]2CC[C@@]1(C)C(O[Si](C)(C)C)=C2O[Si](C)(C)C.
What is the InChIKey of trimethyl-[[(1R,4S)-1,7,7-trimethyl-3-trimethylsilyloxy-2-bicyclo[2.2.1]hept-2-enyl]oxy]silane?
The InChIKey is AYWIHLVSPVPYQC-WBMJQRKESA-N. The full InChI is InChI=1S/C16H32O2Si2/c1-15(2)12-10-11-16(15,3)14(18-20(7,8)9)13(12)17-19(4,5)6/h12H,10-11H2,1-9H3/t12-,16+/m1/s1.
What are the key properties of trimethyl-[[(1R,4S)-1,7,7-trimethyl-3-trimethylsilyloxy-2-bicyclo[2.2.1]hept-2-enyl]oxy]silane?
trimethyl-[[(1R,4S)-1,7,7-trimethyl-3-trimethylsilyloxy-2-bicyclo[2.2.1]hept-2-enyl]oxy]silane has a molecular weight of 312.60 g/mol, XLogP of 5.36, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[[(1R,4S)-1,7,7-trimethyl-3-trimethylsilyloxy-2-bicyclo[2.2.1]hept-2-enyl]oxy]silane is sourced from PubChem (CID 11347501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).