CID 137081739

C17H31O7Si2 — CID 137081739

IUPAC—
SMILESC=C(C)C(=O)OCCOC(=O)CCC(=O)OCCC[Si](C)O[Si](C)(C)C
InChIInChI=1S/C17H31O7Si2/c1-14(2)17(20)23-12-11-22-16(19)9-8-15(18)21-10-7-13-25(3)24-26(4,5)6/h1,7-13H2,2-6H3
InChIKeyYPSJPCMYESPWTD-UHFFFAOYSA-N
MW403.60 g/mol
LogP2.84
Rot. Bonds13

About CID 137081739

CID 137081739 (PubChem CID 137081739) has the molecular formula C17H31O7Si2 and a molecular weight of 403.60 g/mol.

Molecular Properties

Compound NameCID 137081739
PubChem CID137081739
Molecular FormulaC17H31O7Si2
Molecular Weight403.60 g/mol
Exact Mass403.16
IUPAC Name—
SMILESC=C(C)C(=O)OCCOC(=O)CCC(=O)OCCC[Si](C)O[Si](C)(C)C
InChIInChI=1S/C17H31O7Si2/c1-14(2)17(20)23-12-11-22-16(19)9-8-15(18)21-10-7-13-25(3)24-26(4,5)6/h1,7-13H2,2-6H3
InChIKeyYPSJPCMYESPWTD-UHFFFAOYSA-N
XLogP2.84
TPSA88.13 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds13
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.60
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of CID 137081739?
The IUPAC name of CID 137081739 (CID 137081739) is not available.
What is the SMILES notation for CID 137081739?
The canonical SMILES for CID 137081739 is C=C(C)C(=O)OCCOC(=O)CCC(=O)OCCC[Si](C)O[Si](C)(C)C.
What is the InChIKey of CID 137081739?
The InChIKey is YPSJPCMYESPWTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31O7Si2/c1-14(2)17(20)23-12-11-22-16(19)9-8-15(18)21-10-7-13-25(3)24-26(4,5)6/h1,7-13H2,2-6H3.
What are the key properties of CID 137081739?
CID 137081739 has a molecular weight of 403.60 g/mol, XLogP of 2.84, 13 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for CID 137081739 is sourced from PubChem (CID 137081739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).