carbon monoxide;[(1S,4S,5'S)-5'-[(1S,2R,6R,8R,9S)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-8-yl]spiro[bicyclo[2.2.1]hept-2-ene-5,3'-oxolane]-2'-ylidene]chromium

C26H28CrO11 — CID 11060816

IUPACcarbon monoxide;[(1S,4S,5'S)-5'-[(1S,2R,6R,8R,9S)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-8-yl]spiro[bicyclo[2.2.1]hept-2-ene-5,3'-oxolane]-2'-ylidene]chromium
SMILESCC1(C)O[C@@H]2[C@H](O1)[C@H]1OC(C)(C)O[C@H]1O[C@@H]2[C@@H]1CC2(C[C@H]3C=C[C@@H]2C3)C(=[Cr])O1.[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+]
InChIInChI=1S/C21H28O6.5CO.Cr/c1-19(2)24-15-14(23-18-17(16(15)25-19)26-20(3,4)27-18)13-9-21(10-22-13)8-11-5-6-12(21)7-11;5*1-2;/h5-6,11-18H,7-9H2,1-4H3;;;;;;/t11-,12+,13-,14+,15-,16-,17+,18+,21?;;;;;;/m0....../s1
InChIKeySGRBYQJNBBMIGE-YUJJKWOLSA-N
MW568.50 g/mol
LogP2.24
Rot. Bonds1

About carbon monoxide;[(1S,4S,5'S)-5'-[(1S,2R,6R,8R,9S)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-8-yl]spiro[bicyclo[2.2.1]hept-2-ene-5,3'-oxolane]-2'-ylidene]chromium

carbon monoxide;[(1S,4S,5'S)-5'-[(1S,2R,6R,8R,9S)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-8-yl]spiro[bicyclo[2.2.1]hept-2-ene-5,3'-oxolane]-2'-ylidene]chromium (PubChem CID 11060816) has the molecular formula C26H28CrO11 and a molecular weight of 568.50 g/mol. Its IUPAC name is carbon monoxide;[(1S,4S,5'S)-5'-[(1S,2R,6R,8R,9S)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-8-yl]spiro[bicyclo[2.2.1]hept-2-ene-5,3'-oxolane]-2'-ylidene]chromium.

Molecular Properties

Compound Namecarbon monoxide;[(1S,4S,5'S)-5'-[(1S,2R,6R,8R,9S)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-8-yl]spiro[bicyclo[2.2.1]hept-2-ene-5,3'-oxolane]-2'-ylidene]chromium
PubChem CID11060816
Molecular FormulaC26H28CrO11
Molecular Weight568.50 g/mol
Exact Mass568.10
IUPAC Namecarbon monoxide;[(1S,4S,5'S)-5'-[(1S,2R,6R,8R,9S)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-8-yl]spiro[bicyclo[2.2.1]hept-2-ene-5,3'-oxolane]-2'-ylidene]chromium
SMILESCC1(C)O[C@@H]2[C@H](O1)[C@H]1OC(C)(C)O[C@H]1O[C@@H]2[C@@H]1CC2(C[C@H]3C=C[C@@H]2C3)C(=[Cr])O1.[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+]
InChIInChI=1S/C21H28O6.5CO.Cr/c1-19(2)24-15-14(23-18-17(16(15)25-19)26-20(3,4)27-18)13-9-21(10-22-13)8-11-5-6-12(21)7-11;5*1-2;/h5-6,11-18H,7-9H2,1-4H3;;;;;;/t11-,12+,13-,14+,15-,16-,17+,18+,21?;;;;;;/m0....../s1
InChIKeySGRBYQJNBBMIGE-YUJJKWOLSA-N
XLogP2.24
TPSA154.88 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500568.50
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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': 'isolated_alkene', 'substructure': 'N/A'}

Analyze carbon monoxide;[(1S,4S,5'S)-5'-[(1S,2R,6R,8R,9S)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-8-yl]spiro[bicyclo[2.2.1]hept-2-ene-5,3'-oxolane]-2'-ylidene]chromium with MolForge

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Frequently Asked Questions

What is the IUPAC name of carbon monoxide;[(1S,4S,5'S)-5'-[(1S,2R,6R,8R,9S)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-8-yl]spiro[bicyclo[2.2.1]hept-2-ene-5,3'-oxolane]-2'-ylidene]chromium?
The IUPAC name of carbon monoxide;[(1S,4S,5'S)-5'-[(1S,2R,6R,8R,9S)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-8-yl]spiro[bicyclo[2.2.1]hept-2-ene-5,3'-oxolane]-2'-ylidene]chromium (CID 11060816) is carbon monoxide;[(1S,4S,5'S)-5'-[(1S,2R,6R,8R,9S)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-8-yl]spiro[bicyclo[2.2.1]hept-2-ene-5,3'-oxolane]-2'-ylidene]chromium.
What is the SMILES notation for carbon monoxide;[(1S,4S,5'S)-5'-[(1S,2R,6R,8R,9S)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-8-yl]spiro[bicyclo[2.2.1]hept-2-ene-5,3'-oxolane]-2'-ylidene]chromium?
The canonical SMILES for carbon monoxide;[(1S,4S,5'S)-5'-[(1S,2R,6R,8R,9S)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-8-yl]spiro[bicyclo[2.2.1]hept-2-ene-5,3'-oxolane]-2'-ylidene]chromium is CC1(C)O[C@@H]2[C@H](O1)[C@H]1OC(C)(C)O[C@H]1O[C@@H]2[C@@H]1CC2(C[C@H]3C=C[C@@H]2C3)C(=[Cr])O1.[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].
What is the InChIKey of carbon monoxide;[(1S,4S,5'S)-5'-[(1S,2R,6R,8R,9S)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-8-yl]spiro[bicyclo[2.2.1]hept-2-ene-5,3'-oxolane]-2'-ylidene]chromium?
The InChIKey is SGRBYQJNBBMIGE-YUJJKWOLSA-N. The full InChI is InChI=1S/C21H28O6.5CO.Cr/c1-19(2)24-15-14(23-18-17(16(15)25-19)26-20(3,4)27-18)13-9-21(10-22-13)8-11-5-6-12(21)7-11;5*1-2;/h5-6,11-18H,7-9H2,1-4H3;;;;;;/t11-,12+,13-,14+,15-,16-,17+,18+,21?;;;;;;/m0....../s1.
What are the key properties of carbon monoxide;[(1S,4S,5'S)-5'-[(1S,2R,6R,8R,9S)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-8-yl]spiro[bicyclo[2.2.1]hept-2-ene-5,3'-oxolane]-2'-ylidene]chromium?
carbon monoxide;[(1S,4S,5'S)-5'-[(1S,2R,6R,8R,9S)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-8-yl]spiro[bicyclo[2.2.1]hept-2-ene-5,3'-oxolane]-2'-ylidene]chromium has a molecular weight of 568.50 g/mol, XLogP of 2.24, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for carbon monoxide;[(1S,4S,5'S)-5'-[(1S,2R,6R,8R,9S)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-8-yl]spiro[bicyclo[2.2.1]hept-2-ene-5,3'-oxolane]-2'-ylidene]chromium is sourced from PubChem (CID 11060816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).