carbon monoxide;chromium;2-methylbut-3-en-2-yloxymethylbenzene

C15H16CrO4 — CID 135050161

IUPACcarbon monoxide;chromium;2-methylbut-3-en-2-yloxymethylbenzene
SMILESC=CC(C)(C)OCc1ccccc1.[C-]#[O+].[C-]#[O+].[C-]#[O+].[Cr]
InChIInChI=1S/C12H16O.3CO.Cr/c1-4-12(2,3)13-10-11-8-6-5-7-9-11;3*1-2;/h4-9H,1,10H2,2-3H3;;;;
InChIKeyAZGVORQOODDGCI-UHFFFAOYSA-N
MW312.29 g/mol
LogP3.05
Rot. Bonds4

About carbon monoxide;chromium;2-methylbut-3-en-2-yloxymethylbenzene

carbon monoxide;chromium;2-methylbut-3-en-2-yloxymethylbenzene (PubChem CID 135050161) has the molecular formula C15H16CrO4 and a molecular weight of 312.29 g/mol. Its IUPAC name is carbon monoxide;chromium;2-methylbut-3-en-2-yloxymethylbenzene.

Molecular Properties

Compound Namecarbon monoxide;chromium;2-methylbut-3-en-2-yloxymethylbenzene
PubChem CID135050161
Molecular FormulaC15H16CrO4
Molecular Weight312.29 g/mol
Exact Mass312.05
IUPAC Namecarbon monoxide;chromium;2-methylbut-3-en-2-yloxymethylbenzene
SMILESC=CC(C)(C)OCc1ccccc1.[C-]#[O+].[C-]#[O+].[C-]#[O+].[Cr]
InChIInChI=1S/C12H16O.3CO.Cr/c1-4-12(2,3)13-10-11-8-6-5-7-9-11;3*1-2;/h4-9H,1,10H2,2-3H3;;;;
InChIKeyAZGVORQOODDGCI-UHFFFAOYSA-N
XLogP3.05
TPSA68.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.29
LogP ≤ 53.05
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': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

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CID 144676673
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2-methyl-N-phenylmethoxybut-3-en-2-amine
CID 101441641
ethenoxymethylbenzene
CID 11116115
(3-bromo-2,3-dimethylbutan-2-yl)oxymethylbenzene
CID 13234795
(2-methyl-2-phenylmethoxypropyl)benzene
CID 86203864
(2S)-3,3,3-trifluoro-2-methyl-2-phenylmethoxypropanal
CID 15852818
(Z)-7-methyl-7-phenylmethoxyoct-5-enoic acid
CID 24976934
3-[(1S)-1-prop-2-enoxyethyl]penta-1,4-dien-3-yloxymethylbenzene
CID 10611241
(1,1-difluoro-2,2-dimethylpropoxy)methylbenzene
CID 58044547
2,3-dimethyl-3-phenylmethoxybutan-2-ol
CID 14223230
N-methyl-2-phenylmethoxypropan-2-amine
CID 144538471

Frequently Asked Questions

What is the IUPAC name of carbon monoxide;chromium;2-methylbut-3-en-2-yloxymethylbenzene?
The IUPAC name of carbon monoxide;chromium;2-methylbut-3-en-2-yloxymethylbenzene (CID 135050161) is carbon monoxide;chromium;2-methylbut-3-en-2-yloxymethylbenzene.
What is the SMILES notation for carbon monoxide;chromium;2-methylbut-3-en-2-yloxymethylbenzene?
The canonical SMILES for carbon monoxide;chromium;2-methylbut-3-en-2-yloxymethylbenzene is C=CC(C)(C)OCc1ccccc1.[C-]#[O+].[C-]#[O+].[C-]#[O+].[Cr].
What is the InChIKey of carbon monoxide;chromium;2-methylbut-3-en-2-yloxymethylbenzene?
The InChIKey is AZGVORQOODDGCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O.3CO.Cr/c1-4-12(2,3)13-10-11-8-6-5-7-9-11;3*1-2;/h4-9H,1,10H2,2-3H3;;;;.
What are the key properties of carbon monoxide;chromium;2-methylbut-3-en-2-yloxymethylbenzene?
carbon monoxide;chromium;2-methylbut-3-en-2-yloxymethylbenzene has a molecular weight of 312.29 g/mol, XLogP of 3.05, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for carbon monoxide;chromium;2-methylbut-3-en-2-yloxymethylbenzene is sourced from PubChem (CID 135050161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).