1-(dimethoxymethylsilyl)propyl 2-methylbicyclo[2.2.1]hept-5-ene-2-carboxylate

C15H26O4Si — CID 173139221

IUPAC1-(dimethoxymethylsilyl)propyl 2-methylbicyclo[2.2.1]hept-5-ene-2-carboxylate
SMILESCCC(OC(=O)C1(C)CC2C=CC1C2)[SiH2]C(OC)OC
InChIInChI=1S/C15H26O4Si/c1-5-12(20-14(17-3)18-4)19-13(16)15(2)9-10-6-7-11(15)8-10/h6-7,10-12,14H,5,8-9,20H2,1-4H3
InChIKeyNINMFECTRXSFDK-UHFFFAOYSA-N
MW298.46 g/mol
LogP1.61
Rot. Bonds7

About 1-(dimethoxymethylsilyl)propyl 2-methylbicyclo[2.2.1]hept-5-ene-2-carboxylate

1-(dimethoxymethylsilyl)propyl 2-methylbicyclo[2.2.1]hept-5-ene-2-carboxylate (PubChem CID 173139221) has the molecular formula C15H26O4Si and a molecular weight of 298.46 g/mol. Its IUPAC name is 1-(dimethoxymethylsilyl)propyl 2-methylbicyclo[2.2.1]hept-5-ene-2-carboxylate.

Molecular Properties

Compound Name1-(dimethoxymethylsilyl)propyl 2-methylbicyclo[2.2.1]hept-5-ene-2-carboxylate
PubChem CID173139221
Molecular FormulaC15H26O4Si
Molecular Weight298.46 g/mol
Exact Mass298.16
IUPAC Name1-(dimethoxymethylsilyl)propyl 2-methylbicyclo[2.2.1]hept-5-ene-2-carboxylate
SMILESCCC(OC(=O)C1(C)CC2C=CC1C2)[SiH2]C(OC)OC
InChIInChI=1S/C15H26O4Si/c1-5-12(20-14(17-3)18-4)19-13(16)15(2)9-10-6-7-11(15)8-10/h6-7,10-12,14H,5,8-9,20H2,1-4H3
InChIKeyNINMFECTRXSFDK-UHFFFAOYSA-N
XLogP1.61
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.46
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'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-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2-methylbicyclo[2.2.1]hept-5-ene-2-carboxylate
CID 171770522
benzyl 2-methylbicyclo[2.2.1]hept-5-ene-2-carboxylate
CID 139967702
tribenzylsilyl 2-methylbicyclo[2.2.1]hept-5-ene-2-carboxylate
CID 23136028
(2-ethyl-2-bicyclo[2.2.1]heptanyl) 2-methylbicyclo[2.2.1]hept-5-ene-2-carboxylate
CID 20681901
(1S,2R,4S)-2-methylbicyclo[2.2.1]hept-5-ene-2-carboxylate
CID 11861323
(1R,2R,4S)-2-methylbicyclo[2.2.1]hept-5-ene-2-carboxamide
CID 98055767
2-pentan-3-ylbicyclo[2.2.1]hept-5-en-2-ol
CID 164650746
(1R,2R,4R)-N-(4-ethoxyphenyl)-2-methylbicyclo[2.2.1]hept-5-ene-2-carboxamide
CID 900167
methyl (1S,2R,4S)-2-methylbicyclo[2.2.2]oct-5-ene-2-carboxylate
CID 134991240
(4-phenylphenyl) 2-methylbicyclo[2.2.1]hept-5-ene-2-carboxylate
CID 68913531
(9,9-dimethyl-8-tricyclo[5.2.1.02,6]decanyl)oxymethyl 2-methylbicyclo[2.2.1]hept-5-ene-2-carboxylate
CID 59217530
naphthalen-2-yl (1R,2R,4S)-2-methylbicyclo[2.2.1]hept-5-ene-2-carboxylate
CID 99640270

Frequently Asked Questions

What is the IUPAC name of 1-(dimethoxymethylsilyl)propyl 2-methylbicyclo[2.2.1]hept-5-ene-2-carboxylate?
The IUPAC name of 1-(dimethoxymethylsilyl)propyl 2-methylbicyclo[2.2.1]hept-5-ene-2-carboxylate (CID 173139221) is 1-(dimethoxymethylsilyl)propyl 2-methylbicyclo[2.2.1]hept-5-ene-2-carboxylate.
What is the SMILES notation for 1-(dimethoxymethylsilyl)propyl 2-methylbicyclo[2.2.1]hept-5-ene-2-carboxylate?
The canonical SMILES for 1-(dimethoxymethylsilyl)propyl 2-methylbicyclo[2.2.1]hept-5-ene-2-carboxylate is CCC(OC(=O)C1(C)CC2C=CC1C2)[SiH2]C(OC)OC.
What is the InChIKey of 1-(dimethoxymethylsilyl)propyl 2-methylbicyclo[2.2.1]hept-5-ene-2-carboxylate?
The InChIKey is NINMFECTRXSFDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26O4Si/c1-5-12(20-14(17-3)18-4)19-13(16)15(2)9-10-6-7-11(15)8-10/h6-7,10-12,14H,5,8-9,20H2,1-4H3.
What are the key properties of 1-(dimethoxymethylsilyl)propyl 2-methylbicyclo[2.2.1]hept-5-ene-2-carboxylate?
1-(dimethoxymethylsilyl)propyl 2-methylbicyclo[2.2.1]hept-5-ene-2-carboxylate has a molecular weight of 298.46 g/mol, XLogP of 1.61, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(dimethoxymethylsilyl)propyl 2-methylbicyclo[2.2.1]hept-5-ene-2-carboxylate is sourced from PubChem (CID 173139221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).