(1R,7R,10R,11R)-10-[tert-butyl(dimethyl)silyl]oxytricyclo[5.3.2.04,11]dodec-4-en-6-one

C18H30O2Si — CID 53348302

IUPAC(1R,7R,10R,11R)-10-[tert-butyl(dimethyl)silyl]oxytricyclo[5.3.2.04,11]dodec-4-en-6-one
SMILESCC(C)(C)[Si](C)(C)O[C@@H]1CC[C@@H]2C[C@H]3C(=CC2=O)CC[C@@H]13
InChIInChI=1S/C18H30O2Si/c1-18(2,3)21(4,5)20-17-9-7-13-10-15-12(11-16(13)19)6-8-14(15)17/h11,13-15,17H,6-10H2,1-5H3/t13-,14-,15+,17-/m1/s1
InChIKeyBDEVGCFYLXWROL-PNBKFKSVSA-N
MW306.52 g/mol
LogP4.71
Rot. Bonds2

About (1R,7R,10R,11R)-10-[tert-butyl(dimethyl)silyl]oxytricyclo[5.3.2.04,11]dodec-4-en-6-one

(1R,7R,10R,11R)-10-[tert-butyl(dimethyl)silyl]oxytricyclo[5.3.2.04,11]dodec-4-en-6-one (PubChem CID 53348302) has the molecular formula C18H30O2Si and a molecular weight of 306.52 g/mol. Its IUPAC name is (1R,7R,10R,11R)-10-[tert-butyl(dimethyl)silyl]oxytricyclo[5.3.2.04,11]dodec-4-en-6-one.

Molecular Properties

Compound Name(1R,7R,10R,11R)-10-[tert-butyl(dimethyl)silyl]oxytricyclo[5.3.2.04,11]dodec-4-en-6-one
PubChem CID53348302
Molecular FormulaC18H30O2Si
Molecular Weight306.52 g/mol
Exact Mass306.20
IUPAC Name(1R,7R,10R,11R)-10-[tert-butyl(dimethyl)silyl]oxytricyclo[5.3.2.04,11]dodec-4-en-6-one
SMILESCC(C)(C)[Si](C)(C)O[C@@H]1CC[C@@H]2C[C@H]3C(=CC2=O)CC[C@@H]13
InChIInChI=1S/C18H30O2Si/c1-18(2,3)21(4,5)20-17-9-7-13-10-15-12(11-16(13)19)6-8-14(15)17/h11,13-15,17H,6-10H2,1-5H3/t13-,14-,15+,17-/m1/s1
InChIKeyBDEVGCFYLXWROL-PNBKFKSVSA-N
XLogP4.71
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.52
LogP ≤ 54.71
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

(3aS,7R,8S,8aS)-7-propan-2-yl-8-triethylsilyloxy-4-(trimethylsilylmethyl)-3,3a,6,7,8,8a-hexahydro-2H-azulen-1-one
CID 44521475
(6S,9S)-9-[tert-butyl(dimethyl)silyl]oxybicyclo[4.4.1]undeca-1,4-diene-3,11-dione
CID 134864208
(5S)-4-[(1S)-1-[tert-butyl(dimethyl)silyl]oxy-2-methylprop-2-enyl]-2-methyl-5-propan-2-yl-3-prop-2-enylcyclohex-2-en-1-one
CID 134865422
(4S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-1,6-dimethyl-4-propan-2-yl-4,4a,5,8-tetrahydro-3H-naphthalen-2-one
CID 134865795
9-[tert-butyl(dimethyl)silyl]oxy-2,3,5,5a,6,7,8,9-octahydro-1H-benzo[g]azulen-4-one
CID 135023257
1-[Tert-butyl(dimethyl)silyl]oxy-1,2,3,3a,4,6,7,8-octahydrocyclopenta[g]azulen-5-one
CID 135023379
9-[2-[Tert-butyl(dimethyl)silyl]oxyethyl]-8-hexylbicyclo[4.3.1]dec-6-ene-2,10-dione
CID 135068870
7-[2-[Tert-butyl(dimethyl)silyl]oxyethyl]tricyclo[6.4.1.02,6]tridec-1-ene-9,13-dione
CID 135069791
(7R,9R,10R,11S)-9-[tert-butyl(dimethyl)silyl]oxy-10,14-dimethyltricyclo[9.3.0.03,7]tetradeca-1(14),3-dien-5-one
CID 166445994
(5R,6S,6aR)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-methyl-4,5,6,6a-tetrahydro-1H-pentalen-2-one
CID 161770862
(1R,5S,11Z)-6-[(2S)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-1,2,5-trimethyltricyclo[11.4.0.05,9]heptadeca-11,13-dien-15-one
CID 173958182
(1S,7S,9Z,11S,14S)-14-[tert-butyl(dimethyl)silyl]oxy-10-methyltricyclo[9.3.0.03,7]tetradeca-3,9-dien-5-one
CID 10593724

Frequently Asked Questions

What is the IUPAC name of (1R,7R,10R,11R)-10-[tert-butyl(dimethyl)silyl]oxytricyclo[5.3.2.04,11]dodec-4-en-6-one?
The IUPAC name of (1R,7R,10R,11R)-10-[tert-butyl(dimethyl)silyl]oxytricyclo[5.3.2.04,11]dodec-4-en-6-one (CID 53348302) is (1R,7R,10R,11R)-10-[tert-butyl(dimethyl)silyl]oxytricyclo[5.3.2.04,11]dodec-4-en-6-one.
What is the SMILES notation for (1R,7R,10R,11R)-10-[tert-butyl(dimethyl)silyl]oxytricyclo[5.3.2.04,11]dodec-4-en-6-one?
The canonical SMILES for (1R,7R,10R,11R)-10-[tert-butyl(dimethyl)silyl]oxytricyclo[5.3.2.04,11]dodec-4-en-6-one is CC(C)(C)[Si](C)(C)O[C@@H]1CC[C@@H]2C[C@H]3C(=CC2=O)CC[C@@H]13.
What is the InChIKey of (1R,7R,10R,11R)-10-[tert-butyl(dimethyl)silyl]oxytricyclo[5.3.2.04,11]dodec-4-en-6-one?
The InChIKey is BDEVGCFYLXWROL-PNBKFKSVSA-N. The full InChI is InChI=1S/C18H30O2Si/c1-18(2,3)21(4,5)20-17-9-7-13-10-15-12(11-16(13)19)6-8-14(15)17/h11,13-15,17H,6-10H2,1-5H3/t13-,14-,15+,17-/m1/s1.
What are the key properties of (1R,7R,10R,11R)-10-[tert-butyl(dimethyl)silyl]oxytricyclo[5.3.2.04,11]dodec-4-en-6-one?
(1R,7R,10R,11R)-10-[tert-butyl(dimethyl)silyl]oxytricyclo[5.3.2.04,11]dodec-4-en-6-one has a molecular weight of 306.52 g/mol, XLogP of 4.71, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,7R,10R,11R)-10-[tert-butyl(dimethyl)silyl]oxytricyclo[5.3.2.04,11]dodec-4-en-6-one is sourced from PubChem (CID 53348302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).