(2S,3S,7S,10R,11R)-11,17-bis[[tert-butyl(dimethyl)silyl]oxy]-2,5,5-trimethyl-4,6-dioxapentacyclo[11.7.0.02,10.03,7.014,18]icosa-1(13),14(18),19-triene-8,12-dione

C33H52O6Si2 — CID 154720383

IUPAC(2S,3S,7S,10R,11R)-11,17-bis[[tert-butyl(dimethyl)silyl]oxy]-2,5,5-trimethyl-4,6-dioxapentacyclo[11.7.0.02,10.03,7.014,18]icosa-1(13),14(18),19-triene-8,12-dione
SMILESCC1(C)O[C@@H]2C(=O)C[C@H]3[C@@H](O[Si](C)(C)C(C)(C)C)C(=O)c4c(ccc5c4CCC5O[Si](C)(C)C(C)(C)C)[C@@]3(C)[C@@H]2O1
InChIInChI=1S/C33H52O6Si2/c1-30(2,3)40(10,11)38-24-17-15-20-19(24)14-16-21-25(20)26(35)27(39-41(12,13)31(4,5)6)22-18-23(34)28-29(33(21,22)9)37-32(7,8)36-28/h14,16,22,24,27-29H,15,17-18H2,1-13H3/t22-,24?,27+,28+,29+,33+/m0/s1
InChIKeyRZFQIDSFSGNOOA-RMHNFUSGSA-N
MW600.95 g/mol
LogP7.65
Rot. Bonds4

About (2S,3S,7S,10R,11R)-11,17-bis[[tert-butyl(dimethyl)silyl]oxy]-2,5,5-trimethyl-4,6-dioxapentacyclo[11.7.0.02,10.03,7.014,18]icosa-1(13),14(18),19-triene-8,12-dione

(2S,3S,7S,10R,11R)-11,17-bis[[tert-butyl(dimethyl)silyl]oxy]-2,5,5-trimethyl-4,6-dioxapentacyclo[11.7.0.02,10.03,7.014,18]icosa-1(13),14(18),19-triene-8,12-dione (PubChem CID 154720383) has the molecular formula C33H52O6Si2 and a molecular weight of 600.95 g/mol. Its IUPAC name is (2S,3S,7S,10R,11R)-11,17-bis[[tert-butyl(dimethyl)silyl]oxy]-2,5,5-trimethyl-4,6-dioxapentacyclo[11.7.0.02,10.03,7.014,18]icosa-1(13),14(18),19-triene-8,12-dione.

Molecular Properties

Compound Name(2S,3S,7S,10R,11R)-11,17-bis[[tert-butyl(dimethyl)silyl]oxy]-2,5,5-trimethyl-4,6-dioxapentacyclo[11.7.0.02,10.03,7.014,18]icosa-1(13),14(18),19-triene-8,12-dione
PubChem CID154720383
Molecular FormulaC33H52O6Si2
Molecular Weight600.95 g/mol
Exact Mass600.33
IUPAC Name(2S,3S,7S,10R,11R)-11,17-bis[[tert-butyl(dimethyl)silyl]oxy]-2,5,5-trimethyl-4,6-dioxapentacyclo[11.7.0.02,10.03,7.014,18]icosa-1(13),14(18),19-triene-8,12-dione
SMILESCC1(C)O[C@@H]2C(=O)C[C@H]3[C@@H](O[Si](C)(C)C(C)(C)C)C(=O)c4c(ccc5c4CCC5O[Si](C)(C)C(C)(C)C)[C@@]3(C)[C@@H]2O1
InChIInChI=1S/C33H52O6Si2/c1-30(2,3)40(10,11)38-24-17-15-20-19(24)14-16-21-25(20)26(35)27(39-41(12,13)31(4,5)6)22-18-23(34)28-29(33(21,22)9)37-32(7,8)36-28/h14,16,22,24,27-29H,15,17-18H2,1-13H3/t22-,24?,27+,28+,29+,33+/m0/s1
InChIKeyRZFQIDSFSGNOOA-RMHNFUSGSA-N
XLogP7.65
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500600.95
LogP ≤ 57.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze (2S,3S,7S,10R,11R)-11,17-bis[[tert-butyl(dimethyl)silyl]oxy]-2,5,5-trimethyl-4,6-dioxapentacyclo[11.7.0.02,10.03,7.014,18]icosa-1(13),14(18),19-triene-8,12-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2S,3S,7S,10R,11R)-11,17-bis[[tert-butyl(dimethyl)silyl]oxy]-2,5,5-trimethyl-4,6-dioxapentacyclo[11.7.0.02,10.03,7.014,18]icosa-1(13),14(18),19-triene-8,12-dione?
The IUPAC name of (2S,3S,7S,10R,11R)-11,17-bis[[tert-butyl(dimethyl)silyl]oxy]-2,5,5-trimethyl-4,6-dioxapentacyclo[11.7.0.02,10.03,7.014,18]icosa-1(13),14(18),19-triene-8,12-dione (CID 154720383) is (2S,3S,7S,10R,11R)-11,17-bis[[tert-butyl(dimethyl)silyl]oxy]-2,5,5-trimethyl-4,6-dioxapentacyclo[11.7.0.02,10.03,7.014,18]icosa-1(13),14(18),19-triene-8,12-dione.
What is the SMILES notation for (2S,3S,7S,10R,11R)-11,17-bis[[tert-butyl(dimethyl)silyl]oxy]-2,5,5-trimethyl-4,6-dioxapentacyclo[11.7.0.02,10.03,7.014,18]icosa-1(13),14(18),19-triene-8,12-dione?
The canonical SMILES for (2S,3S,7S,10R,11R)-11,17-bis[[tert-butyl(dimethyl)silyl]oxy]-2,5,5-trimethyl-4,6-dioxapentacyclo[11.7.0.02,10.03,7.014,18]icosa-1(13),14(18),19-triene-8,12-dione is CC1(C)O[C@@H]2C(=O)C[C@H]3[C@@H](O[Si](C)(C)C(C)(C)C)C(=O)c4c(ccc5c4CCC5O[Si](C)(C)C(C)(C)C)[C@@]3(C)[C@@H]2O1.
What is the InChIKey of (2S,3S,7S,10R,11R)-11,17-bis[[tert-butyl(dimethyl)silyl]oxy]-2,5,5-trimethyl-4,6-dioxapentacyclo[11.7.0.02,10.03,7.014,18]icosa-1(13),14(18),19-triene-8,12-dione?
The InChIKey is RZFQIDSFSGNOOA-RMHNFUSGSA-N. The full InChI is InChI=1S/C33H52O6Si2/c1-30(2,3)40(10,11)38-24-17-15-20-19(24)14-16-21-25(20)26(35)27(39-41(12,13)31(4,5)6)22-18-23(34)28-29(33(21,22)9)37-32(7,8)36-28/h14,16,22,24,27-29H,15,17-18H2,1-13H3/t22-,24?,27+,28+,29+,33+/m0/s1.
What are the key properties of (2S,3S,7S,10R,11R)-11,17-bis[[tert-butyl(dimethyl)silyl]oxy]-2,5,5-trimethyl-4,6-dioxapentacyclo[11.7.0.02,10.03,7.014,18]icosa-1(13),14(18),19-triene-8,12-dione?
(2S,3S,7S,10R,11R)-11,17-bis[[tert-butyl(dimethyl)silyl]oxy]-2,5,5-trimethyl-4,6-dioxapentacyclo[11.7.0.02,10.03,7.014,18]icosa-1(13),14(18),19-triene-8,12-dione has a molecular weight of 600.95 g/mol, XLogP of 7.65, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S,7S,10R,11R)-11,17-bis[[tert-butyl(dimethyl)silyl]oxy]-2,5,5-trimethyl-4,6-dioxapentacyclo[11.7.0.02,10.03,7.014,18]icosa-1(13),14(18),19-triene-8,12-dione is sourced from PubChem (CID 154720383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).