carbon monoxide;[methoxy-[7-[(E)-4-prop-2-enoxybut-2-en-2-yl]-2-oxabicyclo[4.2.0]oct-7-en-8-yl]methylidene]chromium

C21H22CrO8 — CID 11102473

IUPACcarbon monoxide;[methoxy-[7-[(E)-4-prop-2-enoxybut-2-en-2-yl]-2-oxabicyclo[4.2.0]oct-7-en-8-yl]methylidene]chromium
SMILESC=CCOC/C=C(\C)C1=C(C(=[Cr])OC)C2OCCCC12.[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+]
InChIInChI=1S/C16H22O3.5CO.Cr/c1-4-8-18-10-7-12(2)15-13-6-5-9-19-16(13)14(15)11-17-3;5*1-2;/h4,7,13,16H,1,5-6,8-10H2,2-3H3;;;;;;/b12-7+;;;;;;
InChIKeyOYOPQKSFEVLZRW-BAVTXHHUSA-N
MW454.40 g/mol
LogP2.38
Rot. Bonds7

About carbon monoxide;[methoxy-[7-[(E)-4-prop-2-enoxybut-2-en-2-yl]-2-oxabicyclo[4.2.0]oct-7-en-8-yl]methylidene]chromium

carbon monoxide;[methoxy-[7-[(E)-4-prop-2-enoxybut-2-en-2-yl]-2-oxabicyclo[4.2.0]oct-7-en-8-yl]methylidene]chromium (PubChem CID 11102473) has the molecular formula C21H22CrO8 and a molecular weight of 454.40 g/mol. Its IUPAC name is carbon monoxide;[methoxy-[7-[(E)-4-prop-2-enoxybut-2-en-2-yl]-2-oxabicyclo[4.2.0]oct-7-en-8-yl]methylidene]chromium.

Molecular Properties

Compound Namecarbon monoxide;[methoxy-[7-[(E)-4-prop-2-enoxybut-2-en-2-yl]-2-oxabicyclo[4.2.0]oct-7-en-8-yl]methylidene]chromium
PubChem CID11102473
Molecular FormulaC21H22CrO8
Molecular Weight454.40 g/mol
Exact Mass454.07
IUPAC Namecarbon monoxide;[methoxy-[7-[(E)-4-prop-2-enoxybut-2-en-2-yl]-2-oxabicyclo[4.2.0]oct-7-en-8-yl]methylidene]chromium
SMILESC=CCOC/C=C(\C)C1=C(C(=[Cr])OC)C2OCCCC12.[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+]
InChIInChI=1S/C16H22O3.5CO.Cr/c1-4-8-18-10-7-12(2)15-13-6-5-9-19-16(13)14(15)11-17-3;5*1-2;/h4,7,13,16H,1,5-6,8-10H2,2-3H3;;;;;;/b12-7+;;;;;;
InChIKeyOYOPQKSFEVLZRW-BAVTXHHUSA-N
XLogP2.38
TPSA127.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.40
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Carbon monoxide;[methoxy-(7-methyl-2-oxabicyclo[4.2.0]oct-7-en-8-yl)methylidene]chromium
CID 135002842
Carbon monoxide;[[7-(cyclopenten-1-yl)-2-oxabicyclo[4.2.0]oct-7-en-8-yl]-methoxymethylidene]chromium
CID 134884838
Carbon monoxide;[[7-(cyclohexen-1-yl)-2-oxabicyclo[4.2.0]oct-7-en-8-yl]-methoxymethylidene]chromium
CID 135002848
Carbon monoxide;[[6-(cyclohexen-1-yl)-2-oxabicyclo[3.2.0]hept-6-en-7-yl]-methoxymethylidene]chromium
CID 135003047
Carbon monoxide;[methoxy-(7-prop-1-en-2-yl-2-oxabicyclo[4.2.0]oct-7-en-8-yl)methylidene]tungsten
CID 135004187
Carbon monoxide;[[7-(cyclopenten-1-yl)-2-oxabicyclo[4.2.0]oct-7-en-8-yl]-methoxymethylidene]tungsten
CID 135004760
2-[(2E,4E,6E)-deca-2,4,6-trien-2-yl]-4-methoxy-5-methyloxane
CID 21647325
6-[[(3Z)-3,8-dimethylnona-1,3,8-trien-5-yl]oxymethyl]-1-methylcyclohexene
CID 89269407
2-[(2E,4E)-8-methoxy-3-methyl-6-propoxynona-2,4-dienyl]-3,5,6-trimethyloxane
CID 134550327
(2S,3S,6R)-2-[(2E,4E,6S)-8-methoxy-3-methyl-6-propoxyocta-2,4-dienyl]-3,6-dimethyloxane
CID 134550340
(2S)-4-methyl-2-[(2Z,4E,6Z)-octa-2,4,6-trien-4-yl]oxane
CID 138624051
2,4-dimethyl-6-[(3E,5Z)-octa-1,3,5-trien-3-yl]oxane;ethane
CID 145231683

Frequently Asked Questions

What is the IUPAC name of carbon monoxide;[methoxy-[7-[(E)-4-prop-2-enoxybut-2-en-2-yl]-2-oxabicyclo[4.2.0]oct-7-en-8-yl]methylidene]chromium?
The IUPAC name of carbon monoxide;[methoxy-[7-[(E)-4-prop-2-enoxybut-2-en-2-yl]-2-oxabicyclo[4.2.0]oct-7-en-8-yl]methylidene]chromium (CID 11102473) is carbon monoxide;[methoxy-[7-[(E)-4-prop-2-enoxybut-2-en-2-yl]-2-oxabicyclo[4.2.0]oct-7-en-8-yl]methylidene]chromium.
What is the SMILES notation for carbon monoxide;[methoxy-[7-[(E)-4-prop-2-enoxybut-2-en-2-yl]-2-oxabicyclo[4.2.0]oct-7-en-8-yl]methylidene]chromium?
The canonical SMILES for carbon monoxide;[methoxy-[7-[(E)-4-prop-2-enoxybut-2-en-2-yl]-2-oxabicyclo[4.2.0]oct-7-en-8-yl]methylidene]chromium is C=CCOC/C=C(\C)C1=C(C(=[Cr])OC)C2OCCCC12.[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].
What is the InChIKey of carbon monoxide;[methoxy-[7-[(E)-4-prop-2-enoxybut-2-en-2-yl]-2-oxabicyclo[4.2.0]oct-7-en-8-yl]methylidene]chromium?
The InChIKey is OYOPQKSFEVLZRW-BAVTXHHUSA-N. The full InChI is InChI=1S/C16H22O3.5CO.Cr/c1-4-8-18-10-7-12(2)15-13-6-5-9-19-16(13)14(15)11-17-3;5*1-2;/h4,7,13,16H,1,5-6,8-10H2,2-3H3;;;;;;/b12-7+;;;;;;.
What are the key properties of carbon monoxide;[methoxy-[7-[(E)-4-prop-2-enoxybut-2-en-2-yl]-2-oxabicyclo[4.2.0]oct-7-en-8-yl]methylidene]chromium?
carbon monoxide;[methoxy-[7-[(E)-4-prop-2-enoxybut-2-en-2-yl]-2-oxabicyclo[4.2.0]oct-7-en-8-yl]methylidene]chromium has a molecular weight of 454.40 g/mol, XLogP of 2.38, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for carbon monoxide;[methoxy-[7-[(E)-4-prop-2-enoxybut-2-en-2-yl]-2-oxabicyclo[4.2.0]oct-7-en-8-yl]methylidene]chromium is sourced from PubChem (CID 11102473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).