CID 67041860

C27H33O8Si — CID 67041860

IUPAC—
SMILESCOc1cc(C(=O)c2c(C(C)(C)C)oc3c(OC(C)=O)c(OC)cc([Si](C)C)c23)cc(OC)c1OC
InChIInChI=1S/C27H33O8Si/c1-14(28)34-24-18(32-7)13-19(36(9)10)20-21(26(27(2,3)4)35-25(20)24)22(29)15-11-16(30-5)23(33-8)17(12-15)31-6/h11-13H,1-10H3
InChIKeyYHOPKYOGQKEKCV-UHFFFAOYSA-N
MW513.64 g/mol
LogP4.88
Rot. Bonds8

About CID 67041860

CID 67041860 (PubChem CID 67041860) has the molecular formula C27H33O8Si and a molecular weight of 513.64 g/mol.

Molecular Properties

Compound NameCID 67041860
PubChem CID67041860
Molecular FormulaC27H33O8Si
Molecular Weight513.64 g/mol
Exact Mass513.19
IUPAC Name—
SMILESCOc1cc(C(=O)c2c(C(C)(C)C)oc3c(OC(C)=O)c(OC)cc([Si](C)C)c23)cc(OC)c1OC
InChIInChI=1S/C27H33O8Si/c1-14(28)34-24-18(32-7)13-19(36(9)10)20-21(26(27(2,3)4)35-25(20)24)22(29)15-11-16(30-5)23(33-8)17(12-15)31-6/h11-13H,1-10H3
InChIKeyYHOPKYOGQKEKCV-UHFFFAOYSA-N
XLogP4.88
TPSA93.43 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500513.64
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of CID 67041860?
The IUPAC name of CID 67041860 (CID 67041860) is not available.
What is the SMILES notation for CID 67041860?
The canonical SMILES for CID 67041860 is COc1cc(C(=O)c2c(C(C)(C)C)oc3c(OC(C)=O)c(OC)cc([Si](C)C)c23)cc(OC)c1OC.
What is the InChIKey of CID 67041860?
The InChIKey is YHOPKYOGQKEKCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33O8Si/c1-14(28)34-24-18(32-7)13-19(36(9)10)20-21(26(27(2,3)4)35-25(20)24)22(29)15-11-16(30-5)23(33-8)17(12-15)31-6/h11-13H,1-10H3.
What are the key properties of CID 67041860?
CID 67041860 has a molecular weight of 513.64 g/mol, XLogP of 4.88, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for CID 67041860 is sourced from PubChem (CID 67041860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).