(1S,2S,6S,7S,8R,14R)-7-[tert-butyl(dimethyl)silyl]oxy-14-hydroxy-2,6,14-trimethyl-4,11-dioxatetracyclo[6.3.3.01,8.02,6]tetradecane-5,10-dione

C21H34O6Si — CID 102489801

IUPAC(1S,2S,6S,7S,8R,14R)-7-[tert-butyl(dimethyl)silyl]oxy-14-hydroxy-2,6,14-trimethyl-4,11-dioxatetracyclo[6.3.3.01,8.02,6]tetradecane-5,10-dione
SMILESCC(C)(C)[Si](C)(C)O[C@H]1[C@@]23CC(=O)O[C@@]2(CC[C@@]3(C)O)[C@]2(C)COC(=O)[C@]12C
InChIInChI=1S/C21H34O6Si/c1-16(2,3)28(7,8)27-14-19(6)15(23)25-12-17(19,4)21-10-9-18(5,24)20(14,21)11-13(22)26-21/h14,24H,9-12H2,1-8H3/t14-,17-,18-,19+,20-,21+/m1/s1
InChIKeySFEAQWXHNQOYAI-RJGLBQMWSA-N
MW410.58 g/mol
LogP3.18
Rot. Bonds2

About (1S,2S,6S,7S,8R,14R)-7-[tert-butyl(dimethyl)silyl]oxy-14-hydroxy-2,6,14-trimethyl-4,11-dioxatetracyclo[6.3.3.01,8.02,6]tetradecane-5,10-dione

(1S,2S,6S,7S,8R,14R)-7-[tert-butyl(dimethyl)silyl]oxy-14-hydroxy-2,6,14-trimethyl-4,11-dioxatetracyclo[6.3.3.01,8.02,6]tetradecane-5,10-dione (PubChem CID 102489801) has the molecular formula C21H34O6Si and a molecular weight of 410.58 g/mol. Its IUPAC name is (1S,2S,6S,7S,8R,14R)-7-[tert-butyl(dimethyl)silyl]oxy-14-hydroxy-2,6,14-trimethyl-4,11-dioxatetracyclo[6.3.3.01,8.02,6]tetradecane-5,10-dione.

Molecular Properties

Compound Name(1S,2S,6S,7S,8R,14R)-7-[tert-butyl(dimethyl)silyl]oxy-14-hydroxy-2,6,14-trimethyl-4,11-dioxatetracyclo[6.3.3.01,8.02,6]tetradecane-5,10-dione
PubChem CID102489801
Molecular FormulaC21H34O6Si
Molecular Weight410.58 g/mol
Exact Mass410.21
IUPAC Name(1S,2S,6S,7S,8R,14R)-7-[tert-butyl(dimethyl)silyl]oxy-14-hydroxy-2,6,14-trimethyl-4,11-dioxatetracyclo[6.3.3.01,8.02,6]tetradecane-5,10-dione
SMILESCC(C)(C)[Si](C)(C)O[C@H]1[C@@]23CC(=O)O[C@@]2(CC[C@@]3(C)O)[C@]2(C)COC(=O)[C@]12C
InChIInChI=1S/C21H34O6Si/c1-16(2,3)28(7,8)27-14-19(6)15(23)25-12-17(19,4)21-10-9-18(5,24)20(14,21)11-13(22)26-21/h14,24H,9-12H2,1-8H3/t14-,17-,18-,19+,20-,21+/m1/s1
InChIKeySFEAQWXHNQOYAI-RJGLBQMWSA-N
XLogP3.18
TPSA82.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.58
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze (1S,2S,6S,7S,8R,14R)-7-[tert-butyl(dimethyl)silyl]oxy-14-hydroxy-2,6,14-trimethyl-4,11-dioxatetracyclo[6.3.3.01,8.02,6]tetradecane-5,10-dione with MolForge

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Related Compounds

anislactone B
CID 45267954
2,8-Dihydroxy-3,7,11-trimethyl-5,12-dioxatetracyclo[6.6.0.01,11.03,7]tetradecane-4,13-dione
CID 15628258
(1S,2R,3S,7S,8S,11S)-2,8-dihydroxy-3,7,11-trimethyl-5,12-dioxatetracyclo[6.6.0.01,11.03,7]tetradecane-4,13-dione
CID 101588995
(2R,3S,7S,8S,11S)-2,8-dihydroxy-3,7,11-trimethyl-5,12-dioxatetracyclo[6.6.0.01,11.03,7]tetradecane-4,13-dione
CID 86576923
[(1S,2R,3S,6S,7R,8R,11S)-8-hydroxy-6-methoxy-3,7,11-trimethyl-4,13-dioxo-5,12-dioxatetracyclo[6.6.0.01,11.03,7]tetradecan-2-yl] acetate
CID 163132154
(1S,2S,6S,7R,8S,9R,11S)-7-hydroxy-2,6,9-trimethyl-4,10,13-trioxapentacyclo[6.4.3.01,8.02,6.09,11]pentadecane-5,14-dione
CID 11415167
[(1S,2R,3S,7S,8S,11S)-8-hydroxy-3,7,11-trimethyl-4,13-dioxo-5,12-dioxatetracyclo[6.6.0.01,11.03,7]tetradecan-2-yl] acetate
CID 10640733
8H-Pentaleno(4,3a-b:1,2-c')difuran-2,8(1H)-dione, octahydro-5a,9-dihydroxy-3a,5b,8a-trimethyl-, (3aS,5aS,5bS,8aS,9R,9aS)-
CID 132427619
henrylactone G
CID 86576885
(7R,14R)-7-hydroxy-2,6,14-trimethyl-4,11-dioxatetracyclo[6.3.3.01,8.02,6]tetradecane-5,10-dione
CID 162416833
(7R,14S)-7,14-dihydroxy-2,6,14-trimethyl-4,11-dioxatetracyclo[6.3.3.01,8.02,6]tetradecane-5,10-dione
CID 162416836
(2R,11S)-2,8-dihydroxy-3,7,11-trimethyl-5,12-dioxatetracyclo[6.6.0.01,11.03,7]tetradecane-4,13-dione
CID 162416837

Frequently Asked Questions

What is the IUPAC name of (1S,2S,6S,7S,8R,14R)-7-[tert-butyl(dimethyl)silyl]oxy-14-hydroxy-2,6,14-trimethyl-4,11-dioxatetracyclo[6.3.3.01,8.02,6]tetradecane-5,10-dione?
The IUPAC name of (1S,2S,6S,7S,8R,14R)-7-[tert-butyl(dimethyl)silyl]oxy-14-hydroxy-2,6,14-trimethyl-4,11-dioxatetracyclo[6.3.3.01,8.02,6]tetradecane-5,10-dione (CID 102489801) is (1S,2S,6S,7S,8R,14R)-7-[tert-butyl(dimethyl)silyl]oxy-14-hydroxy-2,6,14-trimethyl-4,11-dioxatetracyclo[6.3.3.01,8.02,6]tetradecane-5,10-dione.
What is the SMILES notation for (1S,2S,6S,7S,8R,14R)-7-[tert-butyl(dimethyl)silyl]oxy-14-hydroxy-2,6,14-trimethyl-4,11-dioxatetracyclo[6.3.3.01,8.02,6]tetradecane-5,10-dione?
The canonical SMILES for (1S,2S,6S,7S,8R,14R)-7-[tert-butyl(dimethyl)silyl]oxy-14-hydroxy-2,6,14-trimethyl-4,11-dioxatetracyclo[6.3.3.01,8.02,6]tetradecane-5,10-dione is CC(C)(C)[Si](C)(C)O[C@H]1[C@@]23CC(=O)O[C@@]2(CC[C@@]3(C)O)[C@]2(C)COC(=O)[C@]12C.
What is the InChIKey of (1S,2S,6S,7S,8R,14R)-7-[tert-butyl(dimethyl)silyl]oxy-14-hydroxy-2,6,14-trimethyl-4,11-dioxatetracyclo[6.3.3.01,8.02,6]tetradecane-5,10-dione?
The InChIKey is SFEAQWXHNQOYAI-RJGLBQMWSA-N. The full InChI is InChI=1S/C21H34O6Si/c1-16(2,3)28(7,8)27-14-19(6)15(23)25-12-17(19,4)21-10-9-18(5,24)20(14,21)11-13(22)26-21/h14,24H,9-12H2,1-8H3/t14-,17-,18-,19+,20-,21+/m1/s1.
What are the key properties of (1S,2S,6S,7S,8R,14R)-7-[tert-butyl(dimethyl)silyl]oxy-14-hydroxy-2,6,14-trimethyl-4,11-dioxatetracyclo[6.3.3.01,8.02,6]tetradecane-5,10-dione?
(1S,2S,6S,7S,8R,14R)-7-[tert-butyl(dimethyl)silyl]oxy-14-hydroxy-2,6,14-trimethyl-4,11-dioxatetracyclo[6.3.3.01,8.02,6]tetradecane-5,10-dione has a molecular weight of 410.58 g/mol, XLogP of 3.18, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S,6S,7S,8R,14R)-7-[tert-butyl(dimethyl)silyl]oxy-14-hydroxy-2,6,14-trimethyl-4,11-dioxatetracyclo[6.3.3.01,8.02,6]tetradecane-5,10-dione is sourced from PubChem (CID 102489801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).