carbon monoxide;[1-[(E,3R,5R,9R)-11-[(2S,3R,4R,5R,6S)-6-ethynyl-3,5-dimethyl-4-triethylsilyloxyoxan-2-yl]-3,5,7,9-tetramethyl-2-methylideneundec-7-enoxy]-2-methylprop-2-enylidene]chromium

C40H60CrO8Si — CID 166443979

IUPACcarbon monoxide;[1-[(E,3R,5R,9R)-11-[(2S,3R,4R,5R,6S)-6-ethynyl-3,5-dimethyl-4-triethylsilyloxyoxan-2-yl]-3,5,7,9-tetramethyl-2-methylideneundec-7-enoxy]-2-methylprop-2-enylidene]chromium
SMILESC#C[C@H]1O[C@@H](CC[C@@H](C)/C=C(\C)C[C@H](C)C[C@@H](C)C(=C)COC(=[Cr])C(=C)C)[C@@H](C)[C@@H](O[Si](CC)(CC)CC)[C@@H]1C.[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+]
InChIInChI=1S/C35H60O3Si.5CO.Cr/c1-14-33-31(12)35(38-39(15-2,16-3)17-4)32(13)34(37-33)19-18-26(7)20-27(8)21-28(9)22-29(10)30(11)24-36-23-25(5)6;5*1-2;/h1,20,26,28-29,31-35H,5,11,15-19,21-22,24H2,2-4,6-10,12-13H3;;;;;;/b27-20+;;;;;;/t26-,28+,29-,31-,32-,33-,34+,35+;;;;;;/m1....../s1
InChIKeyLSPGGOHLTUKYLJ-ARLSRKSFSA-N
MW748.99 g/mol
LogP9.10
Rot. Bonds18

About carbon monoxide;[1-[(E,3R,5R,9R)-11-[(2S,3R,4R,5R,6S)-6-ethynyl-3,5-dimethyl-4-triethylsilyloxyoxan-2-yl]-3,5,7,9-tetramethyl-2-methylideneundec-7-enoxy]-2-methylprop-2-enylidene]chromium

carbon monoxide;[1-[(E,3R,5R,9R)-11-[(2S,3R,4R,5R,6S)-6-ethynyl-3,5-dimethyl-4-triethylsilyloxyoxan-2-yl]-3,5,7,9-tetramethyl-2-methylideneundec-7-enoxy]-2-methylprop-2-enylidene]chromium (PubChem CID 166443979) has the molecular formula C40H60CrO8Si and a molecular weight of 748.99 g/mol. Its IUPAC name is carbon monoxide;[1-[(E,3R,5R,9R)-11-[(2S,3R,4R,5R,6S)-6-ethynyl-3,5-dimethyl-4-triethylsilyloxyoxan-2-yl]-3,5,7,9-tetramethyl-2-methylideneundec-7-enoxy]-2-methylprop-2-enylidene]chromium.

Molecular Properties

Compound Namecarbon monoxide;[1-[(E,3R,5R,9R)-11-[(2S,3R,4R,5R,6S)-6-ethynyl-3,5-dimethyl-4-triethylsilyloxyoxan-2-yl]-3,5,7,9-tetramethyl-2-methylideneundec-7-enoxy]-2-methylprop-2-enylidene]chromium
PubChem CID166443979
Molecular FormulaC40H60CrO8Si
Molecular Weight748.99 g/mol
Exact Mass748.35
IUPAC Namecarbon monoxide;[1-[(E,3R,5R,9R)-11-[(2S,3R,4R,5R,6S)-6-ethynyl-3,5-dimethyl-4-triethylsilyloxyoxan-2-yl]-3,5,7,9-tetramethyl-2-methylideneundec-7-enoxy]-2-methylprop-2-enylidene]chromium
SMILESC#C[C@H]1O[C@@H](CC[C@@H](C)/C=C(\C)C[C@H](C)C[C@@H](C)C(=C)COC(=[Cr])C(=C)C)[C@@H](C)[C@@H](O[Si](CC)(CC)CC)[C@@H]1C.[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+]
InChIInChI=1S/C35H60O3Si.5CO.Cr/c1-14-33-31(12)35(38-39(15-2,16-3)17-4)32(13)34(37-33)19-18-26(7)20-27(8)21-28(9)22-29(10)30(11)24-36-23-25(5)6;5*1-2;/h1,20,26,28-29,31-35H,5,11,15-19,21-22,24H2,2-4,6-10,12-13H3;;;;;;/b27-20+;;;;;;/t26-,28+,29-,31-,32-,33-,34+,35+;;;;;;/m1....../s1
InChIKeyLSPGGOHLTUKYLJ-ARLSRKSFSA-N
XLogP9.10
TPSA127.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds18
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500748.99
LogP ≤ 59.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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;[1-[(E,3R,5R,9R)-11-[(2S,3R,4R,5R,6S)-6-ethynyl-3,5-dimethyl-4-triethylsilyloxyoxan-2-yl]-3,5,7,9-tetramethyl-2-methylideneundec-7-enoxy]-2-methylprop-2-enylidene]chromium with MolForge

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Related Compounds

(E,3S,5S,9S)-11-[(2R,3S,4S,5S,6R)-6-ethynyl-3,5-dimethyl-4-triethylsilyloxyoxan-2-yl]-3,5,7,9-tetramethyl-2-methylideneundec-7-en-1-ol
CID 46197730
(E,3S,5S,9S)-11-[(2R,3S,4S,5S,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-ethynyl-3,5-dimethyloxan-2-yl]-3,5,7,9-tetramethyl-2-methylideneundec-7-en-1-ol
CID 154709049
(E,3R,5R,9R)-11-[(2S,3R,4R,5R,6S)-6-ethynyl-3,5-dimethyl-4-triethylsilyloxyoxan-2-yl]-3,5,7,9-tetramethyl-2-methylideneundec-7-en-1-ol
CID 166443981
tert-butyl-dimethyl-[(2S,6S,7E,10S,11S,12E)-2-methyl-13-[(2S)-4-methyl-3,6-dihydro-2H-pyran-2-yl]-4-methylidene-1-[(2R,6R)-6-prop-2-ynyl-3,6-dihydro-2H-pyran-2-yl]-10,11-bis(triethylsilyloxy)trideca-7,12-dien-6-yl]oxysilane
CID 44178526
CID 46197733
CID 46197733
CID 46197734
CID 46197734
tert-butyl-dimethyl-[(2S,6S,7E,10S,11S,12E)-2-methyl-13-[(2S)-4-methyl-3,6-dihydro-2H-pyran-2-yl]-4-methylidene-1-pent-4-ynoxy-10,11-bis(triethylsilyloxy)trideca-7,12-dien-6-yl]oxysilane
CID 101489056
[1-[(E,3R,5R,9R)-11-[(2S,3R,4R,5R,6S)-6-ethynyl-3,5-dimethyl-4-triethylsilyloxyoxan-2-yl]-3,5,7,9-tetramethyl-2-methylideneundec-7-enoxy]-2-methylprop-2-enylidene]chromium
CID 166443980

Frequently Asked Questions

What is the IUPAC name of carbon monoxide;[1-[(E,3R,5R,9R)-11-[(2S,3R,4R,5R,6S)-6-ethynyl-3,5-dimethyl-4-triethylsilyloxyoxan-2-yl]-3,5,7,9-tetramethyl-2-methylideneundec-7-enoxy]-2-methylprop-2-enylidene]chromium?
The IUPAC name of carbon monoxide;[1-[(E,3R,5R,9R)-11-[(2S,3R,4R,5R,6S)-6-ethynyl-3,5-dimethyl-4-triethylsilyloxyoxan-2-yl]-3,5,7,9-tetramethyl-2-methylideneundec-7-enoxy]-2-methylprop-2-enylidene]chromium (CID 166443979) is carbon monoxide;[1-[(E,3R,5R,9R)-11-[(2S,3R,4R,5R,6S)-6-ethynyl-3,5-dimethyl-4-triethylsilyloxyoxan-2-yl]-3,5,7,9-tetramethyl-2-methylideneundec-7-enoxy]-2-methylprop-2-enylidene]chromium.
What is the SMILES notation for carbon monoxide;[1-[(E,3R,5R,9R)-11-[(2S,3R,4R,5R,6S)-6-ethynyl-3,5-dimethyl-4-triethylsilyloxyoxan-2-yl]-3,5,7,9-tetramethyl-2-methylideneundec-7-enoxy]-2-methylprop-2-enylidene]chromium?
The canonical SMILES for carbon monoxide;[1-[(E,3R,5R,9R)-11-[(2S,3R,4R,5R,6S)-6-ethynyl-3,5-dimethyl-4-triethylsilyloxyoxan-2-yl]-3,5,7,9-tetramethyl-2-methylideneundec-7-enoxy]-2-methylprop-2-enylidene]chromium is C#C[C@H]1O[C@@H](CC[C@@H](C)/C=C(\C)C[C@H](C)C[C@@H](C)C(=C)COC(=[Cr])C(=C)C)[C@@H](C)[C@@H](O[Si](CC)(CC)CC)[C@@H]1C.[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].
What is the InChIKey of carbon monoxide;[1-[(E,3R,5R,9R)-11-[(2S,3R,4R,5R,6S)-6-ethynyl-3,5-dimethyl-4-triethylsilyloxyoxan-2-yl]-3,5,7,9-tetramethyl-2-methylideneundec-7-enoxy]-2-methylprop-2-enylidene]chromium?
The InChIKey is LSPGGOHLTUKYLJ-ARLSRKSFSA-N. The full InChI is InChI=1S/C35H60O3Si.5CO.Cr/c1-14-33-31(12)35(38-39(15-2,16-3)17-4)32(13)34(37-33)19-18-26(7)20-27(8)21-28(9)22-29(10)30(11)24-36-23-25(5)6;5*1-2;/h1,20,26,28-29,31-35H,5,11,15-19,21-22,24H2,2-4,6-10,12-13H3;;;;;;/b27-20+;;;;;;/t26-,28+,29-,31-,32-,33-,34+,35+;;;;;;/m1....../s1.
What are the key properties of carbon monoxide;[1-[(E,3R,5R,9R)-11-[(2S,3R,4R,5R,6S)-6-ethynyl-3,5-dimethyl-4-triethylsilyloxyoxan-2-yl]-3,5,7,9-tetramethyl-2-methylideneundec-7-enoxy]-2-methylprop-2-enylidene]chromium?
carbon monoxide;[1-[(E,3R,5R,9R)-11-[(2S,3R,4R,5R,6S)-6-ethynyl-3,5-dimethyl-4-triethylsilyloxyoxan-2-yl]-3,5,7,9-tetramethyl-2-methylideneundec-7-enoxy]-2-methylprop-2-enylidene]chromium has a molecular weight of 748.99 g/mol, XLogP of 9.10, 18 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for carbon monoxide;[1-[(E,3R,5R,9R)-11-[(2S,3R,4R,5R,6S)-6-ethynyl-3,5-dimethyl-4-triethylsilyloxyoxan-2-yl]-3,5,7,9-tetramethyl-2-methylideneundec-7-enoxy]-2-methylprop-2-enylidene]chromium is sourced from PubChem (CID 166443979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).