CID 170591491

C34H58O4Si3 — CID 170591491

IUPAC—
SMILESC[Si](C)O[Si](O[Si](C)C(CCC1CCC2OC2C1)CCC1CCC2OC2C1)(C12CCC(CC1)C2)C12CCC(CC1)C2
InChIInChI=1S/C34H58O4Si3/c1-39(2)37-41(33-16-12-26(22-33)13-17-33,34-18-14-27(23-34)15-19-34)38-40(3)28(8-4-24-6-10-29-31(20-24)35-29)9-5-25-7-11-30-32(21-25)36-30/h24-32H,4-23H2,1-3H3
InChIKeyMGCHVRBEZNIWQJ-UHFFFAOYSA-N
MW615.09 g/mol
LogP9.07
Rot. Bonds13

About CID 170591491

CID 170591491 (PubChem CID 170591491) has the molecular formula C34H58O4Si3 and a molecular weight of 615.09 g/mol.

Molecular Properties

Compound NameCID 170591491
PubChem CID170591491
Molecular FormulaC34H58O4Si3
Molecular Weight615.09 g/mol
Exact Mass614.36
IUPAC Name—
SMILESC[Si](C)O[Si](O[Si](C)C(CCC1CCC2OC2C1)CCC1CCC2OC2C1)(C12CCC(CC1)C2)C12CCC(CC1)C2
InChIInChI=1S/C34H58O4Si3/c1-39(2)37-41(33-16-12-26(22-33)13-17-33,34-18-14-27(23-34)15-19-34)38-40(3)28(8-4-24-6-10-29-31(20-24)35-29)9-5-25-7-11-30-32(21-25)36-30/h24-32H,4-23H2,1-3H3
InChIKeyMGCHVRBEZNIWQJ-UHFFFAOYSA-N
XLogP9.07
TPSA43.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500615.09
LogP ≤ 59.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 170591491?
The IUPAC name of CID 170591491 (CID 170591491) is not available.
What is the SMILES notation for CID 170591491?
The canonical SMILES for CID 170591491 is C[Si](C)O[Si](O[Si](C)C(CCC1CCC2OC2C1)CCC1CCC2OC2C1)(C12CCC(CC1)C2)C12CCC(CC1)C2.
What is the InChIKey of CID 170591491?
The InChIKey is MGCHVRBEZNIWQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H58O4Si3/c1-39(2)37-41(33-16-12-26(22-33)13-17-33,34-18-14-27(23-34)15-19-34)38-40(3)28(8-4-24-6-10-29-31(20-24)35-29)9-5-25-7-11-30-32(21-25)36-30/h24-32H,4-23H2,1-3H3.
What are the key properties of CID 170591491?
CID 170591491 has a molecular weight of 615.09 g/mol, XLogP of 9.07, 13 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 170591491 is sourced from PubChem (CID 170591491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).