carbon monoxide;[(2E,6E,10E,12S)-1-methoxy-3,6,10-trimethyl-12-tri(propan-2-yl)silyloxytetradeca-2,6,10-trien-13-ynylidene]chromium

C32H46CrO7Si — CID 134940523

IUPACcarbon monoxide;[(2E,6E,10E,12S)-1-methoxy-3,6,10-trimethyl-12-tri(propan-2-yl)silyloxytetradeca-2,6,10-trien-13-ynylidene]chromium
SMILESC#C[C@H](/C=C(\C)CC/C=C(\C)CC/C(C)=C/C(=[Cr])OC)O[Si](C(C)C)(C(C)C)C(C)C.[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+]
InChIInChI=1S/C27H46O2Si.5CO.Cr/c1-12-27(29-30(21(2)3,22(4)5)23(6)7)20-26(10)15-13-14-24(8)16-17-25(9)18-19-28-11;5*1-2;/h1,14,18,20-23,27H,13,15-17H2,2-11H3;;;;;;/b24-14+,25-18+,26-20+;;;;;;/t27-;;;;;;/m1....../s1
InChIKeyNTKVIFOANLFOHV-FXADWAQDSA-N
MW622.80 g/mol
LogP7.72
Rot. Bonds14

About carbon monoxide;[(2E,6E,10E,12S)-1-methoxy-3,6,10-trimethyl-12-tri(propan-2-yl)silyloxytetradeca-2,6,10-trien-13-ynylidene]chromium

carbon monoxide;[(2E,6E,10E,12S)-1-methoxy-3,6,10-trimethyl-12-tri(propan-2-yl)silyloxytetradeca-2,6,10-trien-13-ynylidene]chromium (PubChem CID 134940523) has the molecular formula C32H46CrO7Si and a molecular weight of 622.80 g/mol. Its IUPAC name is carbon monoxide;[(2E,6E,10E,12S)-1-methoxy-3,6,10-trimethyl-12-tri(propan-2-yl)silyloxytetradeca-2,6,10-trien-13-ynylidene]chromium.

Molecular Properties

Compound Namecarbon monoxide;[(2E,6E,10E,12S)-1-methoxy-3,6,10-trimethyl-12-tri(propan-2-yl)silyloxytetradeca-2,6,10-trien-13-ynylidene]chromium
PubChem CID134940523
Molecular FormulaC32H46CrO7Si
Molecular Weight622.80 g/mol
Exact Mass622.24
IUPAC Namecarbon monoxide;[(2E,6E,10E,12S)-1-methoxy-3,6,10-trimethyl-12-tri(propan-2-yl)silyloxytetradeca-2,6,10-trien-13-ynylidene]chromium
SMILESC#C[C@H](/C=C(\C)CC/C=C(\C)CC/C(C)=C/C(=[Cr])OC)O[Si](C(C)C)(C(C)C)C(C)C.[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+]
InChIInChI=1S/C27H46O2Si.5CO.Cr/c1-12-27(29-30(21(2)3,22(4)5)23(6)7)20-26(10)15-13-14-24(8)16-17-25(9)18-19-28-11;5*1-2;/h1,14,18,20-23,27H,13,15-17H2,2-11H3;;;;;;/b24-14+,25-18+,26-20+;;;;;;/t27-;;;;;;/m1....../s1
InChIKeyNTKVIFOANLFOHV-FXADWAQDSA-N
XLogP7.72
TPSA117.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500622.80
LogP ≤ 57.72
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': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze carbon monoxide;[(2E,6E,10E,12S)-1-methoxy-3,6,10-trimethyl-12-tri(propan-2-yl)silyloxytetradeca-2,6,10-trien-13-ynylidene]chromium with MolForge

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Related Compounds

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[(4E)-5,9-dimethyldeca-4,8-dien-1-yn-3-yl]oxy-tri(propan-2-yl)silane
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[(2E,6E,10E,12S)-1-methoxy-3,6,10-trimethyl-12-tri(propan-2-yl)silyloxytetradeca-2,6,10-trien-13-ynylidene]chromium
CID 134940524

Frequently Asked Questions

What is the IUPAC name of carbon monoxide;[(2E,6E,10E,12S)-1-methoxy-3,6,10-trimethyl-12-tri(propan-2-yl)silyloxytetradeca-2,6,10-trien-13-ynylidene]chromium?
The IUPAC name of carbon monoxide;[(2E,6E,10E,12S)-1-methoxy-3,6,10-trimethyl-12-tri(propan-2-yl)silyloxytetradeca-2,6,10-trien-13-ynylidene]chromium (CID 134940523) is carbon monoxide;[(2E,6E,10E,12S)-1-methoxy-3,6,10-trimethyl-12-tri(propan-2-yl)silyloxytetradeca-2,6,10-trien-13-ynylidene]chromium.
What is the SMILES notation for carbon monoxide;[(2E,6E,10E,12S)-1-methoxy-3,6,10-trimethyl-12-tri(propan-2-yl)silyloxytetradeca-2,6,10-trien-13-ynylidene]chromium?
The canonical SMILES for carbon monoxide;[(2E,6E,10E,12S)-1-methoxy-3,6,10-trimethyl-12-tri(propan-2-yl)silyloxytetradeca-2,6,10-trien-13-ynylidene]chromium is C#C[C@H](/C=C(\C)CC/C=C(\C)CC/C(C)=C/C(=[Cr])OC)O[Si](C(C)C)(C(C)C)C(C)C.[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].
What is the InChIKey of carbon monoxide;[(2E,6E,10E,12S)-1-methoxy-3,6,10-trimethyl-12-tri(propan-2-yl)silyloxytetradeca-2,6,10-trien-13-ynylidene]chromium?
The InChIKey is NTKVIFOANLFOHV-FXADWAQDSA-N. The full InChI is InChI=1S/C27H46O2Si.5CO.Cr/c1-12-27(29-30(21(2)3,22(4)5)23(6)7)20-26(10)15-13-14-24(8)16-17-25(9)18-19-28-11;5*1-2;/h1,14,18,20-23,27H,13,15-17H2,2-11H3;;;;;;/b24-14+,25-18+,26-20+;;;;;;/t27-;;;;;;/m1....../s1.
What are the key properties of carbon monoxide;[(2E,6E,10E,12S)-1-methoxy-3,6,10-trimethyl-12-tri(propan-2-yl)silyloxytetradeca-2,6,10-trien-13-ynylidene]chromium?
carbon monoxide;[(2E,6E,10E,12S)-1-methoxy-3,6,10-trimethyl-12-tri(propan-2-yl)silyloxytetradeca-2,6,10-trien-13-ynylidene]chromium has a molecular weight of 622.80 g/mol, XLogP of 7.72, 14 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for carbon monoxide;[(2E,6E,10E,12S)-1-methoxy-3,6,10-trimethyl-12-tri(propan-2-yl)silyloxytetradeca-2,6,10-trien-13-ynylidene]chromium is sourced from PubChem (CID 134940523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).