(1S,5S,8R,10R)-10-[tert-butyl(dimethyl)silyl]oxy-2-methylidenetricyclo[6.3.0.01,5]undecan-6-one

C18H30O2Si — CID 11833740

IUPAC(1S,5S,8R,10R)-10-[tert-butyl(dimethyl)silyl]oxy-2-methylidenetricyclo[6.3.0.01,5]undecan-6-one
SMILESC=C1CC[C@@H]2C(=O)C[C@H]3C[C@@H](O[Si](C)(C)C(C)(C)C)C[C@]132
InChIInChI=1S/C18H30O2Si/c1-12-7-8-15-16(19)10-13-9-14(11-18(12,13)15)20-21(5,6)17(2,3)4/h13-15H,1,7-11H2,2-6H3/t13-,14-,15-,18+/m1/s1
InChIKeyGRTOMABVTINRLE-ADAWSYLGSA-N
MW306.52 g/mol
LogP4.71
Rot. Bonds2

About (1S,5S,8R,10R)-10-[tert-butyl(dimethyl)silyl]oxy-2-methylidenetricyclo[6.3.0.01,5]undecan-6-one

(1S,5S,8R,10R)-10-[tert-butyl(dimethyl)silyl]oxy-2-methylidenetricyclo[6.3.0.01,5]undecan-6-one (PubChem CID 11833740) has the molecular formula C18H30O2Si and a molecular weight of 306.52 g/mol. Its IUPAC name is (1S,5S,8R,10R)-10-[tert-butyl(dimethyl)silyl]oxy-2-methylidenetricyclo[6.3.0.01,5]undecan-6-one.

Molecular Properties

Compound Name(1S,5S,8R,10R)-10-[tert-butyl(dimethyl)silyl]oxy-2-methylidenetricyclo[6.3.0.01,5]undecan-6-one
PubChem CID11833740
Molecular FormulaC18H30O2Si
Molecular Weight306.52 g/mol
Exact Mass306.20
IUPAC Name(1S,5S,8R,10R)-10-[tert-butyl(dimethyl)silyl]oxy-2-methylidenetricyclo[6.3.0.01,5]undecan-6-one
SMILESC=C1CC[C@@H]2C(=O)C[C@H]3C[C@@H](O[Si](C)(C)C(C)(C)C)C[C@]132
InChIInChI=1S/C18H30O2Si/c1-12-7-8-15-16(19)10-13-9-14(11-18(12,13)15)20-21(5,6)17(2,3)4/h13-15H,1,7-11H2,2-6H3/t13-,14-,15-,18+/m1/s1
InChIKeyGRTOMABVTINRLE-ADAWSYLGSA-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'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1S,5S,8R,10R)-10-[tert-butyl(dimethyl)silyl]oxy-2-methylidenetricyclo[6.3.0.01,5]undecan-6-one?
The IUPAC name of (1S,5S,8R,10R)-10-[tert-butyl(dimethyl)silyl]oxy-2-methylidenetricyclo[6.3.0.01,5]undecan-6-one (CID 11833740) is (1S,5S,8R,10R)-10-[tert-butyl(dimethyl)silyl]oxy-2-methylidenetricyclo[6.3.0.01,5]undecan-6-one.
What is the SMILES notation for (1S,5S,8R,10R)-10-[tert-butyl(dimethyl)silyl]oxy-2-methylidenetricyclo[6.3.0.01,5]undecan-6-one?
The canonical SMILES for (1S,5S,8R,10R)-10-[tert-butyl(dimethyl)silyl]oxy-2-methylidenetricyclo[6.3.0.01,5]undecan-6-one is C=C1CC[C@@H]2C(=O)C[C@H]3C[C@@H](O[Si](C)(C)C(C)(C)C)C[C@]132.
What is the InChIKey of (1S,5S,8R,10R)-10-[tert-butyl(dimethyl)silyl]oxy-2-methylidenetricyclo[6.3.0.01,5]undecan-6-one?
The InChIKey is GRTOMABVTINRLE-ADAWSYLGSA-N. The full InChI is InChI=1S/C18H30O2Si/c1-12-7-8-15-16(19)10-13-9-14(11-18(12,13)15)20-21(5,6)17(2,3)4/h13-15H,1,7-11H2,2-6H3/t13-,14-,15-,18+/m1/s1.
What are the key properties of (1S,5S,8R,10R)-10-[tert-butyl(dimethyl)silyl]oxy-2-methylidenetricyclo[6.3.0.01,5]undecan-6-one?
(1S,5S,8R,10R)-10-[tert-butyl(dimethyl)silyl]oxy-2-methylidenetricyclo[6.3.0.01,5]undecan-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 (1S,5S,8R,10R)-10-[tert-butyl(dimethyl)silyl]oxy-2-methylidenetricyclo[6.3.0.01,5]undecan-6-one is sourced from PubChem (CID 11833740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).