CID 136836012

C24H33N2O3Si — CID 136836012

IUPAC—
SMILESCCCCCCOc1ccc(/N=N/c2ccc(OCCCCCCO[Si])cc2)cc1
InChIInChI=1S/C24H33N2O3Si/c1-2-3-4-7-18-27-23-14-10-21(11-15-23)25-26-22-12-16-24(17-13-22)28-19-8-5-6-9-20-29-30/h10-17H,2-9,18-20H2,1H3/b26-25+
InChIKeyKXTPIRVEJVEJGN-OCEACIFDSA-N
MW425.63 g/mol
LogP7.10
Rot. Bonds16

About CID 136836012

CID 136836012 (PubChem CID 136836012) has the molecular formula C24H33N2O3Si and a molecular weight of 425.63 g/mol.

Molecular Properties

Compound NameCID 136836012
PubChem CID136836012
Molecular FormulaC24H33N2O3Si
Molecular Weight425.63 g/mol
Exact Mass425.23
IUPAC Name—
SMILESCCCCCCOc1ccc(/N=N/c2ccc(OCCCCCCO[Si])cc2)cc1
InChIInChI=1S/C24H33N2O3Si/c1-2-3-4-7-18-27-23-14-10-21(11-15-23)25-26-22-12-16-24(17-13-22)28-19-8-5-6-9-20-29-30/h10-17H,2-9,18-20H2,1H3/b26-25+
InChIKeyKXTPIRVEJVEJGN-OCEACIFDSA-N
XLogP7.10
TPSA52.41 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds16
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.63
LogP ≤ 57.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

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phenyl-(4-undecoxyphenyl)diazene
CID 162717560
(4-hexadecoxyphenyl)-(4-methylphenyl)diazene
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4-[(4-octadecoxyphenyl)diazenyl]phenol
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(4-chlorophenyl)-(4-hexadecoxyphenyl)diazene
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(4-pentylphenyl)-[4-[7-[4-[(4-pentylphenyl)diazenyl]phenoxy]heptoxy]phenyl]diazene
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(4-heptoxyphenyl)-pyridin-4-yldiazene
CID 132541807
(4-butylphenyl)-[4-[6-[4-[(4-butylphenyl)diazenyl]phenoxy]hexoxy]phenyl]diazene
CID 101048958
1,4-di(tetradecoxy)benzene
CID 57023723
1,4-di(pentacontoxy)benzene
CID 88721659
1,3-bis[4-[(4-decoxyphenyl)diazenyl]phenoxy]propan-2-ol
CID 101214976

Frequently Asked Questions

What is the IUPAC name of CID 136836012?
The IUPAC name of CID 136836012 (CID 136836012) is not available.
What is the SMILES notation for CID 136836012?
The canonical SMILES for CID 136836012 is CCCCCCOc1ccc(/N=N/c2ccc(OCCCCCCO[Si])cc2)cc1.
What is the InChIKey of CID 136836012?
The InChIKey is KXTPIRVEJVEJGN-OCEACIFDSA-N. The full InChI is InChI=1S/C24H33N2O3Si/c1-2-3-4-7-18-27-23-14-10-21(11-15-23)25-26-22-12-16-24(17-13-22)28-19-8-5-6-9-20-29-30/h10-17H,2-9,18-20H2,1H3/b26-25+.
What are the key properties of CID 136836012?
CID 136836012 has a molecular weight of 425.63 g/mol, XLogP of 7.10, 16 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 136836012 is sourced from PubChem (CID 136836012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).