CID 54015058

C30H63O8Si2 — CID 54015058

IUPAC—
SMILESCOC(CC(C)CO[Si](C(C)C)(C(C)C)C(C)C)C(C(CC(C)C(O)C(O)(O[Si](C)C)C(=O)O)OC)C(C)(C)C
InChIInChI=1S/C30H63O8Si2/c1-19(2)40(20(3)4,21(5)6)37-18-22(7)16-24(35-12)26(29(9,10)11)25(36-13)17-23(8)27(31)30(34,28(32)33)38-39(14)15/h19-27,31,34H,16-18H2,1-15H3,(H,32,33)
InChIKeyAZFJAUQTLGUHAO-UHFFFAOYSA-N
MW608.00 g/mol
LogP6.32
Rot. Bonds19

About CID 54015058

CID 54015058 (PubChem CID 54015058) has the molecular formula C30H63O8Si2 and a molecular weight of 608.00 g/mol.

Molecular Properties

Compound NameCID 54015058
PubChem CID54015058
Molecular FormulaC30H63O8Si2
Molecular Weight608.00 g/mol
Exact Mass607.41
IUPAC Name—
SMILESCOC(CC(C)CO[Si](C(C)C)(C(C)C)C(C)C)C(C(CC(C)C(O)C(O)(O[Si](C)C)C(=O)O)OC)C(C)(C)C
InChIInChI=1S/C30H63O8Si2/c1-19(2)40(20(3)4,21(5)6)37-18-22(7)16-24(35-12)26(29(9,10)11)25(36-13)17-23(8)27(31)30(34,28(32)33)38-39(14)15/h19-27,31,34H,16-18H2,1-15H3,(H,32,33)
InChIKeyAZFJAUQTLGUHAO-UHFFFAOYSA-N
XLogP6.32
TPSA114.68 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds19
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500608.00
LogP ≤ 56.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 54015058?
The IUPAC name of CID 54015058 (CID 54015058) is not available.
What is the SMILES notation for CID 54015058?
The canonical SMILES for CID 54015058 is COC(CC(C)CO[Si](C(C)C)(C(C)C)C(C)C)C(C(CC(C)C(O)C(O)(O[Si](C)C)C(=O)O)OC)C(C)(C)C.
What is the InChIKey of CID 54015058?
The InChIKey is AZFJAUQTLGUHAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H63O8Si2/c1-19(2)40(20(3)4,21(5)6)37-18-22(7)16-24(35-12)26(29(9,10)11)25(36-13)17-23(8)27(31)30(34,28(32)33)38-39(14)15/h19-27,31,34H,16-18H2,1-15H3,(H,32,33).
What are the key properties of CID 54015058?
CID 54015058 has a molecular weight of 608.00 g/mol, XLogP of 6.32, 19 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for CID 54015058 is sourced from PubChem (CID 54015058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).