(1S,8S,9R)-1-[tert-butyl(dimethyl)silyl]oxy-10-methylidenetricyclo[7.3.1.02,7]trideca-2,4,6-trien-8-ol

C20H30O2Si — CID 10980442

IUPAC(1S,8S,9R)-1-[tert-butyl(dimethyl)silyl]oxy-10-methylidenetricyclo[7.3.1.02,7]trideca-2,4,6-trien-8-ol
SMILESC=C1CC[C@]2(O[Si](C)(C)C(C)(C)C)C[C@H]1[C@H](O)c1ccccc12
InChIInChI=1S/C20H30O2Si/c1-14-11-12-20(22-23(5,6)19(2,3)4)13-16(14)18(21)15-9-7-8-10-17(15)20/h7-10,16,18,21H,1,11-13H2,2-6H3/t16-,18-,20+/m1/s1
InChIKeyZHDZLEZTSIXTEK-POAQFYNOSA-N
MW330.54 g/mol
LogP5.31
Rot. Bonds2

About (1S,8S,9R)-1-[tert-butyl(dimethyl)silyl]oxy-10-methylidenetricyclo[7.3.1.02,7]trideca-2,4,6-trien-8-ol

(1S,8S,9R)-1-[tert-butyl(dimethyl)silyl]oxy-10-methylidenetricyclo[7.3.1.02,7]trideca-2,4,6-trien-8-ol (PubChem CID 10980442) has the molecular formula C20H30O2Si and a molecular weight of 330.54 g/mol. Its IUPAC name is (1S,8S,9R)-1-[tert-butyl(dimethyl)silyl]oxy-10-methylidenetricyclo[7.3.1.02,7]trideca-2,4,6-trien-8-ol.

Molecular Properties

Compound Name(1S,8S,9R)-1-[tert-butyl(dimethyl)silyl]oxy-10-methylidenetricyclo[7.3.1.02,7]trideca-2,4,6-trien-8-ol
PubChem CID10980442
Molecular FormulaC20H30O2Si
Molecular Weight330.54 g/mol
Exact Mass330.20
IUPAC Name(1S,8S,9R)-1-[tert-butyl(dimethyl)silyl]oxy-10-methylidenetricyclo[7.3.1.02,7]trideca-2,4,6-trien-8-ol
SMILESC=C1CC[C@]2(O[Si](C)(C)C(C)(C)C)C[C@H]1[C@H](O)c1ccccc12
InChIInChI=1S/C20H30O2Si/c1-14-11-12-20(22-23(5,6)19(2,3)4)13-16(14)18(21)15-9-7-8-10-17(15)20/h7-10,16,18,21H,1,11-13H2,2-6H3/t16-,18-,20+/m1/s1
InChIKeyZHDZLEZTSIXTEK-POAQFYNOSA-N
XLogP5.31
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.54
LogP ≤ 55.31
H-Bond Donors ≤ 51
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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Related Compounds

3-[4-[1-[tert-butyl(dimethyl)silyl]oxycyclopropyl]-3-fluorophenyl]but-3-en-2-one
CID 89027361
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(4-benzhydrylidene-2-tert-butyloxetan-2-yl)oxy-tert-butyl-dimethylsilane
CID 13293861
tert-butyl-[[4-(1-methoxycyclobutyl)-2,3-dihydro-1H-inden-1-yl]oxy]-dimethylsilane
CID 67814830
[(3aS,8bR)-1,2,3a,4-tetrahydrofuro[2,3-b]indol-8b-yl]oxy-tert-butyl-dimethylsilane
CID 11483189
(1R)-4-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydro-1H-inden-1-ol
CID 124636580
2-bromo-1-[2-[1-[tert-butyl(dimethyl)silyl]oxycyclopropyl]-4-pyridinyl]ethanone
CID 168866421
[2-[3-[tert-butyl(dimethyl)silyl]oxy-1-(hydroxymethyl)cyclohexyl]phenyl]methanol
CID 156775392
tert-butyl-(2,2-difluoro-3-methyl-1-phenylcyclopropyl)oxy-dimethylsilane
CID 162540016
3-ethenyl-3-methyl-1,2-dihydroinden-1-ol
CID 130142583
(3S)-3-(2-aminophenyl)-3-[tert-butyl(dimethyl)silyl]oxy-1-methylpyrrolidin-2-one
CID 11847417
tert-butyl-[2-[(2R,5R)-5-(2-fluorophenyl)-5-prop-2-enylpyrrolidin-2-yl]propan-2-yloxy]-dimethylsilane
CID 142588526

Frequently Asked Questions

What is the IUPAC name of (1S,8S,9R)-1-[tert-butyl(dimethyl)silyl]oxy-10-methylidenetricyclo[7.3.1.02,7]trideca-2,4,6-trien-8-ol?
The IUPAC name of (1S,8S,9R)-1-[tert-butyl(dimethyl)silyl]oxy-10-methylidenetricyclo[7.3.1.02,7]trideca-2,4,6-trien-8-ol (CID 10980442) is (1S,8S,9R)-1-[tert-butyl(dimethyl)silyl]oxy-10-methylidenetricyclo[7.3.1.02,7]trideca-2,4,6-trien-8-ol.
What is the SMILES notation for (1S,8S,9R)-1-[tert-butyl(dimethyl)silyl]oxy-10-methylidenetricyclo[7.3.1.02,7]trideca-2,4,6-trien-8-ol?
The canonical SMILES for (1S,8S,9R)-1-[tert-butyl(dimethyl)silyl]oxy-10-methylidenetricyclo[7.3.1.02,7]trideca-2,4,6-trien-8-ol is C=C1CC[C@]2(O[Si](C)(C)C(C)(C)C)C[C@H]1[C@H](O)c1ccccc12.
What is the InChIKey of (1S,8S,9R)-1-[tert-butyl(dimethyl)silyl]oxy-10-methylidenetricyclo[7.3.1.02,7]trideca-2,4,6-trien-8-ol?
The InChIKey is ZHDZLEZTSIXTEK-POAQFYNOSA-N. The full InChI is InChI=1S/C20H30O2Si/c1-14-11-12-20(22-23(5,6)19(2,3)4)13-16(14)18(21)15-9-7-8-10-17(15)20/h7-10,16,18,21H,1,11-13H2,2-6H3/t16-,18-,20+/m1/s1.
What are the key properties of (1S,8S,9R)-1-[tert-butyl(dimethyl)silyl]oxy-10-methylidenetricyclo[7.3.1.02,7]trideca-2,4,6-trien-8-ol?
(1S,8S,9R)-1-[tert-butyl(dimethyl)silyl]oxy-10-methylidenetricyclo[7.3.1.02,7]trideca-2,4,6-trien-8-ol has a molecular weight of 330.54 g/mol, XLogP of 5.31, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,8S,9R)-1-[tert-butyl(dimethyl)silyl]oxy-10-methylidenetricyclo[7.3.1.02,7]trideca-2,4,6-trien-8-ol is sourced from PubChem (CID 10980442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).