CID 87564568

C11H22O6Si — CID 87564568

IUPAC—
SMILESCOC(CO[Si]CCCOCC1CO1)(OC)OC
InChIInChI=1S/C11H22O6Si/c1-12-11(13-2,14-3)9-17-18-6-4-5-15-7-10-8-16-10/h10H,4-9H2,1-3H3
InChIKeyMXLVCASGZIUHQS-UHFFFAOYSA-N
MW278.38 g/mol
LogP0.44
Rot. Bonds12

About CID 87564568

CID 87564568 (PubChem CID 87564568) has the molecular formula C11H22O6Si and a molecular weight of 278.38 g/mol.

Molecular Properties

Compound NameCID 87564568
PubChem CID87564568
Molecular FormulaC11H22O6Si
Molecular Weight278.38 g/mol
Exact Mass278.12
IUPAC Name—
SMILESCOC(CO[Si]CCCOCC1CO1)(OC)OC
InChIInChI=1S/C11H22O6Si/c1-12-11(13-2,14-3)9-17-18-6-4-5-15-7-10-8-16-10/h10H,4-9H2,1-3H3
InChIKeyMXLVCASGZIUHQS-UHFFFAOYSA-N
XLogP0.44
TPSA58.68 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.38
LogP ≤ 50.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

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CID 130476685
2-[4-[4-[4-(oxiran-2-ylmethoxy)butoxy]butoxy]butoxymethyl]oxirane
CID 130476668
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Frequently Asked Questions

What is the IUPAC name of CID 87564568?
The IUPAC name of CID 87564568 (CID 87564568) is not available.
What is the SMILES notation for CID 87564568?
The canonical SMILES for CID 87564568 is COC(CO[Si]CCCOCC1CO1)(OC)OC.
What is the InChIKey of CID 87564568?
The InChIKey is MXLVCASGZIUHQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O6Si/c1-12-11(13-2,14-3)9-17-18-6-4-5-15-7-10-8-16-10/h10H,4-9H2,1-3H3.
What are the key properties of CID 87564568?
CID 87564568 has a molecular weight of 278.38 g/mol, XLogP of 0.44, 12 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for CID 87564568 is sourced from PubChem (CID 87564568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).