CID 23542279

C27H42O4Si2 — CID 23542279

IUPAC—
SMILESCC(O)[Si](C)CCCOc1ccc(C(C)(C)c2ccc(OCCC[Si](C)C(C)O)cc2)cc1
InChIInChI=1S/C27H42O4Si2/c1-21(28)32(5)19-7-17-30-25-13-9-23(10-14-25)27(3,4)24-11-15-26(16-12-24)31-18-8-20-33(6)22(2)29/h9-16,21-22,28-29H,7-8,17-20H2,1-6H3
InChIKeySTXIMZMHEIOHFD-UHFFFAOYSA-N
MW486.80 g/mol
LogP5.64
Rot. Bonds14

About CID 23542279

CID 23542279 (PubChem CID 23542279) has the molecular formula C27H42O4Si2 and a molecular weight of 486.80 g/mol.

Molecular Properties

Compound NameCID 23542279
PubChem CID23542279
Molecular FormulaC27H42O4Si2
Molecular Weight486.80 g/mol
Exact Mass486.26
IUPAC Name—
SMILESCC(O)[Si](C)CCCOc1ccc(C(C)(C)c2ccc(OCCC[Si](C)C(C)O)cc2)cc1
InChIInChI=1S/C27H42O4Si2/c1-21(28)32(5)19-7-17-30-25-13-9-23(10-14-25)27(3,4)24-11-15-26(16-12-24)31-18-8-20-33(6)22(2)29/h9-16,21-22,28-29H,7-8,17-20H2,1-6H3
InChIKeySTXIMZMHEIOHFD-UHFFFAOYSA-N
XLogP5.64
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.80
LogP ≤ 55.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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(2S)-1-[4-[2-[4-[(2R)-2-hydroxy-3-phenoxypropoxy]phenyl]propan-2-yl]phenoxy]-3-phenoxypropan-2-ol
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Frequently Asked Questions

What is the IUPAC name of CID 23542279?
The IUPAC name of CID 23542279 (CID 23542279) is not available.
What is the SMILES notation for CID 23542279?
The canonical SMILES for CID 23542279 is CC(O)[Si](C)CCCOc1ccc(C(C)(C)c2ccc(OCCC[Si](C)C(C)O)cc2)cc1.
What is the InChIKey of CID 23542279?
The InChIKey is STXIMZMHEIOHFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H42O4Si2/c1-21(28)32(5)19-7-17-30-25-13-9-23(10-14-25)27(3,4)24-11-15-26(16-12-24)31-18-8-20-33(6)22(2)29/h9-16,21-22,28-29H,7-8,17-20H2,1-6H3.
What are the key properties of CID 23542279?
CID 23542279 has a molecular weight of 486.80 g/mol, XLogP of 5.64, 14 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 23542279 is sourced from PubChem (CID 23542279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).