CID 25108059

C30H32CrO7Si — CID 25108059

IUPAC—
SMILESCOc1ccc([C]Oc2ccccc2C#C[Si](C(C)C)(C(C)C)C(C)C)cc1.[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[Cr]
InChIInChI=1S/C25H32O2Si.5CO.Cr/c1-19(2)28(20(3)4,21(5)6)17-16-23-10-8-9-11-25(23)27-18-22-12-14-24(26-7)15-13-22;5*1-2;/h8-15,19-21H,1-7H3;;;;;;
InChIKeyBIOGSYXLMRCCNF-UHFFFAOYSA-N
MW584.66 g/mol
LogP6.54
Rot. Bonds7

About CID 25108059

CID 25108059 (PubChem CID 25108059) has the molecular formula C30H32CrO7Si and a molecular weight of 584.66 g/mol.

Molecular Properties

Compound NameCID 25108059
PubChem CID25108059
Molecular FormulaC30H32CrO7Si
Molecular Weight584.66 g/mol
Exact Mass584.13
IUPAC Name—
SMILESCOc1ccc([C]Oc2ccccc2C#C[Si](C(C)C)(C(C)C)C(C)C)cc1.[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[Cr]
InChIInChI=1S/C25H32O2Si.5CO.Cr/c1-19(2)28(20(3)4,21(5)6)17-16-23-10-8-9-11-25(23)27-18-22-12-14-24(26-7)15-13-22;5*1-2;/h8-15,19-21H,1-7H3;;;;;;
InChIKeyBIOGSYXLMRCCNF-UHFFFAOYSA-N
XLogP6.54
TPSA117.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500584.66
LogP ≤ 56.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'charged_oxygen_or_sulfur_atoms', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

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CID 169049968
5-methoxy-N-methyl-2-[2-tri(propan-2-yl)silylethynyl]aniline
CID 175524097
tri(propan-2-yl)-[2-[5-[2-tri(propan-2-yl)silylethynyl]naphthalen-1-yl]ethynyl]silane
CID 169050439
[3-methoxy-8-[2-tri(propan-2-yl)silylethynyl]naphthalen-1-yl] acetate
CID 163223020
2-[2-[3-(4-methoxyphenyl)hepta-1,2-dienyl]phenyl]ethynyl-tri(propan-2-yl)silane
CID 11340101
2-phenoxy-6-[2-tri(propan-2-yl)silylethynyl]benzoic acid
CID 177453222
2-(2,6-dimethoxynaphthalen-1-yl)ethynyl-tri(propan-2-yl)silane
CID 169050369
2-[6-[2-[4-[(4-methoxyphenyl)-bis[4-[2-[6-[2-tri(propan-2-yl)silylethynyl]-2-pyridinyl]ethynyl]phenyl]methyl]phenyl]ethynyl]-2-pyridinyl]ethynyl-trimethylsilane
CID 132540390
tri(propan-2-yl)-[2-[4-[2-[4-[2-[4-[2-tri(propan-2-yl)silylethynyl]phenyl]ethynyl]phenyl]ethynyl]phenyl]ethynyl]silane
CID 11657473
2-(2-methoxyphenyl)ethynyl-trimethylsilane
CID 5140915
2-[6-(methoxymethoxy)naphthalen-1-yl]ethynyl-tri(propan-2-yl)silane
CID 172770532

Frequently Asked Questions

What is the IUPAC name of CID 25108059?
The IUPAC name of CID 25108059 (CID 25108059) is not available.
What is the SMILES notation for CID 25108059?
The canonical SMILES for CID 25108059 is COc1ccc([C]Oc2ccccc2C#C[Si](C(C)C)(C(C)C)C(C)C)cc1.[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[Cr].
What is the InChIKey of CID 25108059?
The InChIKey is BIOGSYXLMRCCNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32O2Si.5CO.Cr/c1-19(2)28(20(3)4,21(5)6)17-16-23-10-8-9-11-25(23)27-18-22-12-14-24(26-7)15-13-22;5*1-2;/h8-15,19-21H,1-7H3;;;;;;.
What are the key properties of CID 25108059?
CID 25108059 has a molecular weight of 584.66 g/mol, XLogP of 6.54, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 25108059 is sourced from PubChem (CID 25108059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).