CID 134899914

C27H43CoO2Si — CID 134899914

IUPAC—
SMILESC/C=C/C1=C(C(C)(C)C)CC2(C=C1C[Si](C)(C)C)COC(C)(C)OC2.[CH]1C=CC=C1.[Co]
InChIInChI=1S/C22H38O2Si.C5H5.Co/c1-10-11-18-17(14-25(7,8)9)12-22(13-19(18)20(2,3)4)15-23-21(5,6)24-16-22;1-2-4-5-3-1;/h10-12H,13-16H2,1-9H3;1-5H;/b11-10+;;
InChIKeyJXQZPINXTXDSDC-BGNBUWATSA-N
MW486.66 g/mol
LogP7.66
Rot. Bonds3

About CID 134899914

CID 134899914 (PubChem CID 134899914) has the molecular formula C27H43CoO2Si and a molecular weight of 486.66 g/mol.

Molecular Properties

Compound NameCID 134899914
PubChem CID134899914
Molecular FormulaC27H43CoO2Si
Molecular Weight486.66 g/mol
Exact Mass486.24
IUPAC Name—
SMILESC/C=C/C1=C(C(C)(C)C)CC2(C=C1C[Si](C)(C)C)COC(C)(C)OC2.[CH]1C=CC=C1.[Co]
InChIInChI=1S/C22H38O2Si.C5H5.Co/c1-10-11-18-17(14-25(7,8)9)12-22(13-19(18)20(2,3)4)15-23-21(5,6)24-16-22;1-2-4-5-3-1;/h10-12H,13-16H2,1-9H3;1-5H;/b11-10+;;
InChIKeyJXQZPINXTXDSDC-BGNBUWATSA-N
XLogP7.66
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.66
LogP ≤ 57.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

CID 11069704
CID 11069704
[(E)-[10-tert-butyl-3,3-dimethyl-9-[(E)-prop-1-enyl]-2,4-dioxaspiro[5.5]undec-9-en-8-ylidene]methyl]-trimethylsilane
CID 134899913
8-tert-butyl-3,3,10-trimethyl-9-[(E)-prop-1-enyl]-2,4-dioxaspiro[5.5]undeca-8,10-diene
CID 11069705
[(6E)-6-[10-tert-butyl-3,3-dimethyl-9-[(E)-prop-1-enyl]-2,4-dioxaspiro[5.5]undec-9-en-8-ylidene]hex-1-ynyl]-trimethylsilane
CID 102000908
[(6E)-6-[10-tert-butyl-3,3-dimethyl-9-[(Z)-prop-1-enyl]-2,4-dioxaspiro[5.5]undec-9-en-8-ylidene]hex-1-ynyl]-trimethylsilane
CID 102000909
[8-tert-butyl-3,3-dimethyl-9-[(E)-prop-1-enyl]-2,4-dioxaspiro[5.5]undeca-8,10-dien-10-yl]methyl-trimethylsilane
CID 134899915
[(3Z)-3-[(4E)-8,8-dimethyl-4-(5-triethylsilylpent-1-en-4-yn-3-ylidene)-7,9-dioxaspiro[4.5]decan-2-ylidene]prop-1-ynyl]-triethylsilane
CID 177479163

Frequently Asked Questions

What is the IUPAC name of CID 134899914?
The IUPAC name of CID 134899914 (CID 134899914) is not available.
What is the SMILES notation for CID 134899914?
The canonical SMILES for CID 134899914 is C/C=C/C1=C(C(C)(C)C)CC2(C=C1C[Si](C)(C)C)COC(C)(C)OC2.[CH]1C=CC=C1.[Co].
What is the InChIKey of CID 134899914?
The InChIKey is JXQZPINXTXDSDC-BGNBUWATSA-N. The full InChI is InChI=1S/C22H38O2Si.C5H5.Co/c1-10-11-18-17(14-25(7,8)9)12-22(13-19(18)20(2,3)4)15-23-21(5,6)24-16-22;1-2-4-5-3-1;/h10-12H,13-16H2,1-9H3;1-5H;/b11-10+;;.
What are the key properties of CID 134899914?
CID 134899914 has a molecular weight of 486.66 g/mol, XLogP of 7.66, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 134899914 is sourced from PubChem (CID 134899914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).