[chloro-bis(prop-2-enyl)silyl] 4-methyltetracyclo[6.2.1.13,6.02,7]dodec-9-ene-4-carboxylate

C20H27ClO2Si — CID 140513944

IUPAC[chloro-bis(prop-2-enyl)silyl] 4-methyltetracyclo[6.2.1.13,6.02,7]dodec-9-ene-4-carboxylate
SMILESC=CC[Si](Cl)(CC=C)OC(=O)C1(C)CC2CC1C1C3C=CC(C3)C21
InChIInChI=1S/C20H27ClO2Si/c1-4-8-24(21,9-5-2)23-19(22)20(3)12-15-11-16(20)18-14-7-6-13(10-14)17(15)18/h4-7,13-18H,1-2,8-12H2,3H3
InChIKeyPHKLRKXKFXURBW-UHFFFAOYSA-N
MW362.97 g/mol
LogP5.07
Rot. Bonds6

About [chloro-bis(prop-2-enyl)silyl] 4-methyltetracyclo[6.2.1.13,6.02,7]dodec-9-ene-4-carboxylate

[chloro-bis(prop-2-enyl)silyl] 4-methyltetracyclo[6.2.1.13,6.02,7]dodec-9-ene-4-carboxylate (PubChem CID 140513944) has the molecular formula C20H27ClO2Si and a molecular weight of 362.97 g/mol. Its IUPAC name is [chloro-bis(prop-2-enyl)silyl] 4-methyltetracyclo[6.2.1.13,6.02,7]dodec-9-ene-4-carboxylate.

Molecular Properties

Compound Name[chloro-bis(prop-2-enyl)silyl] 4-methyltetracyclo[6.2.1.13,6.02,7]dodec-9-ene-4-carboxylate
PubChem CID140513944
Molecular FormulaC20H27ClO2Si
Molecular Weight362.97 g/mol
Exact Mass362.15
IUPAC Name[chloro-bis(prop-2-enyl)silyl] 4-methyltetracyclo[6.2.1.13,6.02,7]dodec-9-ene-4-carboxylate
SMILESC=CC[Si](Cl)(CC=C)OC(=O)C1(C)CC2CC1C1C3C=CC(C3)C21
InChIInChI=1S/C20H27ClO2Si/c1-4-8-24(21,9-5-2)23-19(22)20(3)12-15-11-16(20)18-14-7-6-13(10-14)17(15)18/h4-7,13-18H,1-2,8-12H2,3H3
InChIKeyPHKLRKXKFXURBW-UHFFFAOYSA-N
XLogP5.07
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.97
LogP ≤ 55.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyclooctane_1', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'silicon_halogen', 'substructure': 'N/A'}

Analyze [chloro-bis(prop-2-enyl)silyl] 4-methyltetracyclo[6.2.1.13,6.02,7]dodec-9-ene-4-carboxylate with MolForge

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Related Compounds

trimethylsilyl 4-methyltetracyclo[6.2.1.13,6.02,7]dodec-9-ene-4-carboxylate
CID 58879115
(tert-butyl-chloro-phenylsilyl) 4-methyltetracyclo[6.2.1.13,6.02,7]dodec-9-ene-4-carboxylate
CID 140513953
[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl] 4-methyltetracyclo[6.2.1.13,6.02,7]dodec-9-ene-4-carboxylate
CID 23593422
ethyl (6S)-4-aminotetracyclo[6.2.1.13,6.02,7]dodec-9-ene-4-carboxylate
CID 163831098
tert-butyl 2-(4-methyl-4-tetracyclo[6.2.1.13,6.02,7]dodec-9-enyl)acetate
CID 139807438
(4-methyl-4-tetracyclo[6.2.1.13,6.02,7]dodec-9-enyl)-morpholin-4-ylmethanone
CID 171770551
dipropyl tetracyclo[6.2.1.13,6.02,7]dodec-9-ene-4,4-dicarboxylate
CID 139750555
(4-methyl-4-tetracyclo[6.2.1.13,6.02,7]dodec-9-enyl) ethaneperoxoate
CID 139994166
methyl (4-methyl-4-tetracyclo[6.2.1.13,6.02,7]dodec-9-enyl) carbonate
CID 139891341
tert-butyl 3-(4-methyl-4-tetracyclo[6.2.1.13,6.02,7]dodec-9-enyl)propanoate
CID 139807429
tert-butyl 4-cyanotetracyclo[6.2.1.13,6.02,7]dodec-9-ene-4-carboxylate
CID 139805801
4-propan-2-yltetracyclo[6.2.1.13,6.02,7]dodec-9-ene-4-carboxylic acid
CID 139996132

Frequently Asked Questions

What is the IUPAC name of [chloro-bis(prop-2-enyl)silyl] 4-methyltetracyclo[6.2.1.13,6.02,7]dodec-9-ene-4-carboxylate?
The IUPAC name of [chloro-bis(prop-2-enyl)silyl] 4-methyltetracyclo[6.2.1.13,6.02,7]dodec-9-ene-4-carboxylate (CID 140513944) is [chloro-bis(prop-2-enyl)silyl] 4-methyltetracyclo[6.2.1.13,6.02,7]dodec-9-ene-4-carboxylate.
What is the SMILES notation for [chloro-bis(prop-2-enyl)silyl] 4-methyltetracyclo[6.2.1.13,6.02,7]dodec-9-ene-4-carboxylate?
The canonical SMILES for [chloro-bis(prop-2-enyl)silyl] 4-methyltetracyclo[6.2.1.13,6.02,7]dodec-9-ene-4-carboxylate is C=CC[Si](Cl)(CC=C)OC(=O)C1(C)CC2CC1C1C3C=CC(C3)C21.
What is the InChIKey of [chloro-bis(prop-2-enyl)silyl] 4-methyltetracyclo[6.2.1.13,6.02,7]dodec-9-ene-4-carboxylate?
The InChIKey is PHKLRKXKFXURBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27ClO2Si/c1-4-8-24(21,9-5-2)23-19(22)20(3)12-15-11-16(20)18-14-7-6-13(10-14)17(15)18/h4-7,13-18H,1-2,8-12H2,3H3.
What are the key properties of [chloro-bis(prop-2-enyl)silyl] 4-methyltetracyclo[6.2.1.13,6.02,7]dodec-9-ene-4-carboxylate?
[chloro-bis(prop-2-enyl)silyl] 4-methyltetracyclo[6.2.1.13,6.02,7]dodec-9-ene-4-carboxylate has a molecular weight of 362.97 g/mol, XLogP of 5.07, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [chloro-bis(prop-2-enyl)silyl] 4-methyltetracyclo[6.2.1.13,6.02,7]dodec-9-ene-4-carboxylate is sourced from PubChem (CID 140513944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).