carbon monoxide;cobalt;[(1S,2R)-2-methyl-6-methylidenecyclohept-4-yn-1-yl]oxy-tri(propan-2-yl)silane

C24H32Co2O7Si — CID 11753491

IUPACcarbon monoxide;cobalt;[(1S,2R)-2-methyl-6-methylidenecyclohept-4-yn-1-yl]oxy-tri(propan-2-yl)silane
SMILESC=C1C#CC[C@@H](C)[C@@H](O[Si](C(C)C)(C(C)C)C(C)C)C1.[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[Co].[Co]
InChIInChI=1S/C18H32OSi.6CO.2Co/c1-13(2)20(14(3)4,15(5)6)19-18-12-16(7)10-9-11-17(18)8;6*1-2;;/h13-15,17-18H,7,11-12H2,1-6,8H3;;;;;;;;/t17-,18+;;;;;;;;/m1......../s1
InChIKeyNHWNEHDFLQRTGP-FJHAKQTFSA-N
MW578.47 g/mol
LogP5.31
Rot. Bonds5

About carbon monoxide;cobalt;[(1S,2R)-2-methyl-6-methylidenecyclohept-4-yn-1-yl]oxy-tri(propan-2-yl)silane

carbon monoxide;cobalt;[(1S,2R)-2-methyl-6-methylidenecyclohept-4-yn-1-yl]oxy-tri(propan-2-yl)silane (PubChem CID 11753491) has the molecular formula C24H32Co2O7Si and a molecular weight of 578.47 g/mol. Its IUPAC name is carbon monoxide;cobalt;[(1S,2R)-2-methyl-6-methylidenecyclohept-4-yn-1-yl]oxy-tri(propan-2-yl)silane.

Molecular Properties

Compound Namecarbon monoxide;cobalt;[(1S,2R)-2-methyl-6-methylidenecyclohept-4-yn-1-yl]oxy-tri(propan-2-yl)silane
PubChem CID11753491
Molecular FormulaC24H32Co2O7Si
Molecular Weight578.47 g/mol
Exact Mass578.06
IUPAC Namecarbon monoxide;cobalt;[(1S,2R)-2-methyl-6-methylidenecyclohept-4-yn-1-yl]oxy-tri(propan-2-yl)silane
SMILESC=C1C#CC[C@@H](C)[C@@H](O[Si](C(C)C)(C(C)C)C(C)C)C1.[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[Co].[Co]
InChIInChI=1S/C18H32OSi.6CO.2Co/c1-13(2)20(14(3)4,15(5)6)19-18-12-16(7)10-9-11-17(18)8;6*1-2;;/h13-15,17-18H,7,11-12H2,1-6,8H3;;;;;;;;/t17-,18+;;;;;;;;/m1......../s1
InChIKeyNHWNEHDFLQRTGP-FJHAKQTFSA-N
XLogP5.31
TPSA128.63 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500578.47
LogP ≤ 55.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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

[(3S,5R)-2,5-dimethylnon-1-en-7-yn-3-yl]oxy-tri(propan-2-yl)silane
CID 58215527
[(3S,5R)-2,5-dimethyloct-1-en-7-yn-3-yl]oxy-tri(propan-2-yl)silane
CID 157359661
Tert-butyl-dimethyl-(2,5,5-trimethyloct-1-en-7-yn-4-yloxy)silane
CID 11011416
[(1S,2R)-2-methyl-6-methylidenecyclohept-4-yn-1-yl]oxy-tri(propan-2-yl)silane
CID 11753492
[(1S,2R)-2-methyl-8-methylidenecyclonon-5-yn-1-yl]oxy-tri(propan-2-yl)silane
CID 101185107
2,3-Dimethyl-10-triethylsilyloxydec-1-en-6-yn-4-ol
CID 101556865

Frequently Asked Questions

What is the IUPAC name of carbon monoxide;cobalt;[(1S,2R)-2-methyl-6-methylidenecyclohept-4-yn-1-yl]oxy-tri(propan-2-yl)silane?
The IUPAC name of carbon monoxide;cobalt;[(1S,2R)-2-methyl-6-methylidenecyclohept-4-yn-1-yl]oxy-tri(propan-2-yl)silane (CID 11753491) is carbon monoxide;cobalt;[(1S,2R)-2-methyl-6-methylidenecyclohept-4-yn-1-yl]oxy-tri(propan-2-yl)silane.
What is the SMILES notation for carbon monoxide;cobalt;[(1S,2R)-2-methyl-6-methylidenecyclohept-4-yn-1-yl]oxy-tri(propan-2-yl)silane?
The canonical SMILES for carbon monoxide;cobalt;[(1S,2R)-2-methyl-6-methylidenecyclohept-4-yn-1-yl]oxy-tri(propan-2-yl)silane is C=C1C#CC[C@@H](C)[C@@H](O[Si](C(C)C)(C(C)C)C(C)C)C1.[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[Co].[Co].
What is the InChIKey of carbon monoxide;cobalt;[(1S,2R)-2-methyl-6-methylidenecyclohept-4-yn-1-yl]oxy-tri(propan-2-yl)silane?
The InChIKey is NHWNEHDFLQRTGP-FJHAKQTFSA-N. The full InChI is InChI=1S/C18H32OSi.6CO.2Co/c1-13(2)20(14(3)4,15(5)6)19-18-12-16(7)10-9-11-17(18)8;6*1-2;;/h13-15,17-18H,7,11-12H2,1-6,8H3;;;;;;;;/t17-,18+;;;;;;;;/m1......../s1.
What are the key properties of carbon monoxide;cobalt;[(1S,2R)-2-methyl-6-methylidenecyclohept-4-yn-1-yl]oxy-tri(propan-2-yl)silane?
carbon monoxide;cobalt;[(1S,2R)-2-methyl-6-methylidenecyclohept-4-yn-1-yl]oxy-tri(propan-2-yl)silane has a molecular weight of 578.47 g/mol, XLogP of 5.31, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for carbon monoxide;cobalt;[(1S,2R)-2-methyl-6-methylidenecyclohept-4-yn-1-yl]oxy-tri(propan-2-yl)silane is sourced from PubChem (CID 11753491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).