(1R,2S,3S,4R,5R,7R,9R,11S,12S,15R)-8-[tert-butyl(dimethyl)silyl]oxyheptacyclo[9.6.0.02,9.03,7.04,17.05,15.012,16]heptadec-13-ene-6,10-dione

C23H30O3Si — CID 124820228

IUPAC(1R,2S,3S,4R,5R,7R,9R,11S,12S,15R)-8-[tert-butyl(dimethyl)silyl]oxyheptacyclo[9.6.0.02,9.03,7.04,17.05,15.012,16]heptadec-13-ene-6,10-dione
SMILESCC(C)(C)[Si](C)(C)OC1[C@@H]2C(=O)[C@@H]3[C@@H]4C5C6[C@@H](C=C[C@@H]63)[C@H]3C(=O)[C@@H]1[C@@H]([C@@H]53)[C@H]42
InChIInChI=1S/C23H30O3Si/c1-23(2,3)27(4,5)26-22-18-16-14-11(20(18)24)8-6-7-9-10(8)13(14)15-12(9)21(25)19(22)17(15)16/h6-19,22H,1-5H3/t8-,9+,10?,11-,12+,13?,14-,15-,16+,17+,18+,19+,22?/m1/s1
InChIKeyFWRYDKHNELALTG-FOEBDGBLSA-N
MW382.58 g/mol
LogP3.56
Rot. Bonds2

About (1R,2S,3S,4R,5R,7R,9R,11S,12S,15R)-8-[tert-butyl(dimethyl)silyl]oxyheptacyclo[9.6.0.02,9.03,7.04,17.05,15.012,16]heptadec-13-ene-6,10-dione

(1R,2S,3S,4R,5R,7R,9R,11S,12S,15R)-8-[tert-butyl(dimethyl)silyl]oxyheptacyclo[9.6.0.02,9.03,7.04,17.05,15.012,16]heptadec-13-ene-6,10-dione (PubChem CID 124820228) has the molecular formula C23H30O3Si and a molecular weight of 382.58 g/mol. Its IUPAC name is (1R,2S,3S,4R,5R,7R,9R,11S,12S,15R)-8-[tert-butyl(dimethyl)silyl]oxyheptacyclo[9.6.0.02,9.03,7.04,17.05,15.012,16]heptadec-13-ene-6,10-dione.

Molecular Properties

Compound Name(1R,2S,3S,4R,5R,7R,9R,11S,12S,15R)-8-[tert-butyl(dimethyl)silyl]oxyheptacyclo[9.6.0.02,9.03,7.04,17.05,15.012,16]heptadec-13-ene-6,10-dione
PubChem CID124820228
Molecular FormulaC23H30O3Si
Molecular Weight382.58 g/mol
Exact Mass382.20
IUPAC Name(1R,2S,3S,4R,5R,7R,9R,11S,12S,15R)-8-[tert-butyl(dimethyl)silyl]oxyheptacyclo[9.6.0.02,9.03,7.04,17.05,15.012,16]heptadec-13-ene-6,10-dione
SMILESCC(C)(C)[Si](C)(C)OC1[C@@H]2C(=O)[C@@H]3[C@@H]4C5C6[C@@H](C=C[C@@H]63)[C@H]3C(=O)[C@@H]1[C@@H]([C@@H]53)[C@H]42
InChIInChI=1S/C23H30O3Si/c1-23(2,3)27(4,5)26-22-18-16-14-11(20(18)24)8-6-7-9-10(8)13(14)15-12(9)21(25)19(22)17(15)16/h6-19,22H,1-5H3/t8-,9+,10?,11-,12+,13?,14-,15-,16+,17+,18+,19+,22?/m1/s1
InChIKeyFWRYDKHNELALTG-FOEBDGBLSA-N
XLogP3.56
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.58
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (1R,2S,3S,4R,5R,7R,9R,11S,12S,15R)-8-[tert-butyl(dimethyl)silyl]oxyheptacyclo[9.6.0.02,9.03,7.04,17.05,15.012,16]heptadec-13-ene-6,10-dione with MolForge

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Related Compounds

8-[tert-butyl(dimethyl)silyl]oxyheptacyclo[9.6.0.02,9.03,7.04,17.05,15.012,16]heptadec-13-ene-6,10-dione
CID 12574465
(1S,2S,3R,4R,5R,7S,9R,11R,12S,15R)-heptacyclo[9.6.0.02,9.03,7.04,17.05,15.012,16]heptadec-13-ene-6,10-dione
CID 124784970
7-bicyclo[2.2.1]hept-2-enyloxy-tert-butyl-dimethylsilane
CID 15418774
(1R,2S,6S,7R,8S)-6-[tert-butyl(dimethyl)silyl]oxytricyclo[6.2.1.02,7]undeca-4,9-dien-3-one
CID 11277733
(1S,2R,6R,11R)-12-[tert-butyl(dimethyl)silyl]oxy-3,5,8,10,13-pentaoxatetracyclo[7.3.1.02,7.06,11]tridecan-4-one
CID 11404746
(4S)-4-[tert-butyl(dimethyl)silyl]oxy-6-methylcyclohex-2-en-1-one
CID 24814599
(3R,4R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-1-methylpyrrolidine-2,5-dione
CID 10981612
(4S,5R)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]cyclohex-2-en-1-one
CID 11100395
5-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-one
CID 13057933
(3aR,4S,7R,7aR)-4-[tert-butyl(dimethyl)silyl]oxy-7-methyl-3a,4,7,7a-tetrahydro-2-benzofuran-1,3-dione
CID 15891464
(5S,6S,6aR)-5,6-bis[[tert-butyl(dimethyl)silyl]oxy]-4,5,6,6a-tetrahydro-1H-pentalen-2-one
CID 10643655
(4R,6R)-6-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylcyclohex-2-en-1-one
CID 23631211

Frequently Asked Questions

What is the IUPAC name of (1R,2S,3S,4R,5R,7R,9R,11S,12S,15R)-8-[tert-butyl(dimethyl)silyl]oxyheptacyclo[9.6.0.02,9.03,7.04,17.05,15.012,16]heptadec-13-ene-6,10-dione?
The IUPAC name of (1R,2S,3S,4R,5R,7R,9R,11S,12S,15R)-8-[tert-butyl(dimethyl)silyl]oxyheptacyclo[9.6.0.02,9.03,7.04,17.05,15.012,16]heptadec-13-ene-6,10-dione (CID 124820228) is (1R,2S,3S,4R,5R,7R,9R,11S,12S,15R)-8-[tert-butyl(dimethyl)silyl]oxyheptacyclo[9.6.0.02,9.03,7.04,17.05,15.012,16]heptadec-13-ene-6,10-dione.
What is the SMILES notation for (1R,2S,3S,4R,5R,7R,9R,11S,12S,15R)-8-[tert-butyl(dimethyl)silyl]oxyheptacyclo[9.6.0.02,9.03,7.04,17.05,15.012,16]heptadec-13-ene-6,10-dione?
The canonical SMILES for (1R,2S,3S,4R,5R,7R,9R,11S,12S,15R)-8-[tert-butyl(dimethyl)silyl]oxyheptacyclo[9.6.0.02,9.03,7.04,17.05,15.012,16]heptadec-13-ene-6,10-dione is CC(C)(C)[Si](C)(C)OC1[C@@H]2C(=O)[C@@H]3[C@@H]4C5C6[C@@H](C=C[C@@H]63)[C@H]3C(=O)[C@@H]1[C@@H]([C@@H]53)[C@H]42.
What is the InChIKey of (1R,2S,3S,4R,5R,7R,9R,11S,12S,15R)-8-[tert-butyl(dimethyl)silyl]oxyheptacyclo[9.6.0.02,9.03,7.04,17.05,15.012,16]heptadec-13-ene-6,10-dione?
The InChIKey is FWRYDKHNELALTG-FOEBDGBLSA-N. The full InChI is InChI=1S/C23H30O3Si/c1-23(2,3)27(4,5)26-22-18-16-14-11(20(18)24)8-6-7-9-10(8)13(14)15-12(9)21(25)19(22)17(15)16/h6-19,22H,1-5H3/t8-,9+,10?,11-,12+,13?,14-,15-,16+,17+,18+,19+,22?/m1/s1.
What are the key properties of (1R,2S,3S,4R,5R,7R,9R,11S,12S,15R)-8-[tert-butyl(dimethyl)silyl]oxyheptacyclo[9.6.0.02,9.03,7.04,17.05,15.012,16]heptadec-13-ene-6,10-dione?
(1R,2S,3S,4R,5R,7R,9R,11S,12S,15R)-8-[tert-butyl(dimethyl)silyl]oxyheptacyclo[9.6.0.02,9.03,7.04,17.05,15.012,16]heptadec-13-ene-6,10-dione has a molecular weight of 382.58 g/mol, XLogP of 3.56, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S,3S,4R,5R,7R,9R,11S,12S,15R)-8-[tert-butyl(dimethyl)silyl]oxyheptacyclo[9.6.0.02,9.03,7.04,17.05,15.012,16]heptadec-13-ene-6,10-dione is sourced from PubChem (CID 124820228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).