6,7,16,17-tetrakis(trimethylsilyloxy)-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),3(11),4,6,8,14,16,18-octaene-2,12-dione

C30H40O8Si4 — CID 554029

IUPAC6,7,16,17-tetrakis(trimethylsilyloxy)-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),3(11),4,6,8,14,16,18-octaene-2,12-dione
SMILESC[Si](C)(C)Oc1cc2oc3c(c2cc1O[Si](C)(C)C)C(=O)c1oc2cc(O[Si](C)(C)C)c(O[Si](C)(C)C)cc2c1C3=O
InChIInChI=1S/C30H40O8Si4/c1-39(2,3)35-21-13-17-19(15-23(21)37-41(7,8)9)33-29-25(17)27(31)30-26(28(29)32)18-14-22(36-40(4,5)6)24(16-20(18)34-30)38-42(10,11)12/h13-16H,1-12H3
InChIKeyWMJQNCOTNSSCLS-UHFFFAOYSA-N
MW640.99 g/mol
LogP8.81
Rot. Bonds8

About 6,7,16,17-tetrakis(trimethylsilyloxy)-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),3(11),4,6,8,14,16,18-octaene-2,12-dione

6,7,16,17-tetrakis(trimethylsilyloxy)-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),3(11),4,6,8,14,16,18-octaene-2,12-dione (PubChem CID 554029) has the molecular formula C30H40O8Si4 and a molecular weight of 640.99 g/mol. Its IUPAC name is 6,7,16,17-tetrakis(trimethylsilyloxy)-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),3(11),4,6,8,14,16,18-octaene-2,12-dione.

Molecular Properties

Compound Name6,7,16,17-tetrakis(trimethylsilyloxy)-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),3(11),4,6,8,14,16,18-octaene-2,12-dione
PubChem CID554029
Molecular FormulaC30H40O8Si4
Molecular Weight640.99 g/mol
Exact Mass640.18
IUPAC Name6,7,16,17-tetrakis(trimethylsilyloxy)-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),3(11),4,6,8,14,16,18-octaene-2,12-dione
SMILESC[Si](C)(C)Oc1cc2oc3c(c2cc1O[Si](C)(C)C)C(=O)c1oc2cc(O[Si](C)(C)C)c(O[Si](C)(C)C)cc2c1C3=O
InChIInChI=1S/C30H40O8Si4/c1-39(2,3)35-21-13-17-19(15-23(21)37-41(7,8)9)33-29-25(17)27(31)30-26(28(29)32)18-14-22(36-40(4,5)6)24(16-20(18)34-30)38-42(10,11)12/h13-16H,1-12H3
InChIKeyWMJQNCOTNSSCLS-UHFFFAOYSA-N
XLogP8.81
TPSA97.34 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500640.99
LogP ≤ 58.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze 6,7,16,17-tetrakis(trimethylsilyloxy)-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),3(11),4,6,8,14,16,18-octaene-2,12-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6,7,16,17-tetrakis(trimethylsilyloxy)-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),3(11),4,6,8,14,16,18-octaene-2,12-dione?
The IUPAC name of 6,7,16,17-tetrakis(trimethylsilyloxy)-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),3(11),4,6,8,14,16,18-octaene-2,12-dione (CID 554029) is 6,7,16,17-tetrakis(trimethylsilyloxy)-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),3(11),4,6,8,14,16,18-octaene-2,12-dione.
What is the SMILES notation for 6,7,16,17-tetrakis(trimethylsilyloxy)-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),3(11),4,6,8,14,16,18-octaene-2,12-dione?
The canonical SMILES for 6,7,16,17-tetrakis(trimethylsilyloxy)-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),3(11),4,6,8,14,16,18-octaene-2,12-dione is C[Si](C)(C)Oc1cc2oc3c(c2cc1O[Si](C)(C)C)C(=O)c1oc2cc(O[Si](C)(C)C)c(O[Si](C)(C)C)cc2c1C3=O.
What is the InChIKey of 6,7,16,17-tetrakis(trimethylsilyloxy)-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),3(11),4,6,8,14,16,18-octaene-2,12-dione?
The InChIKey is WMJQNCOTNSSCLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H40O8Si4/c1-39(2,3)35-21-13-17-19(15-23(21)37-41(7,8)9)33-29-25(17)27(31)30-26(28(29)32)18-14-22(36-40(4,5)6)24(16-20(18)34-30)38-42(10,11)12/h13-16H,1-12H3.
What are the key properties of 6,7,16,17-tetrakis(trimethylsilyloxy)-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),3(11),4,6,8,14,16,18-octaene-2,12-dione?
6,7,16,17-tetrakis(trimethylsilyloxy)-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),3(11),4,6,8,14,16,18-octaene-2,12-dione has a molecular weight of 640.99 g/mol, XLogP of 8.81, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7,16,17-tetrakis(trimethylsilyloxy)-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),3(11),4,6,8,14,16,18-octaene-2,12-dione is sourced from PubChem (CID 554029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).