carbon monoxide;chromium;(1S,4E)-4-ethylidene-7,8-dimethoxy-1,6-dimethyl-2,3-dihydro-1H-naphthalene

C19H22CrO5 — CID 11773467

IUPACcarbon monoxide;chromium;(1S,4E)-4-ethylidene-7,8-dimethoxy-1,6-dimethyl-2,3-dihydro-1H-naphthalene
SMILESC/C=C1\CC[C@H](C)c2c1cc(C)c(OC)c2OC.[C-]#[O+].[C-]#[O+].[C-]#[O+].[Cr]
InChIInChI=1S/C16H22O2.3CO.Cr/c1-6-12-8-7-10(2)14-13(12)9-11(3)15(17-4)16(14)18-5;3*1-2;/h6,9-10H,7-8H2,1-5H3;;;;/b12-6+;;;;/t10-;;;;/m0..../s1
InChIKeyWJBJXLWAGBPSGR-SPJPFMQESA-N
MW382.38 g/mol
LogP4.20
Rot. Bonds2

About carbon monoxide;chromium;(1S,4E)-4-ethylidene-7,8-dimethoxy-1,6-dimethyl-2,3-dihydro-1H-naphthalene

carbon monoxide;chromium;(1S,4E)-4-ethylidene-7,8-dimethoxy-1,6-dimethyl-2,3-dihydro-1H-naphthalene (PubChem CID 11773467) has the molecular formula C19H22CrO5 and a molecular weight of 382.38 g/mol. Its IUPAC name is carbon monoxide;chromium;(1S,4E)-4-ethylidene-7,8-dimethoxy-1,6-dimethyl-2,3-dihydro-1H-naphthalene.

Molecular Properties

Compound Namecarbon monoxide;chromium;(1S,4E)-4-ethylidene-7,8-dimethoxy-1,6-dimethyl-2,3-dihydro-1H-naphthalene
PubChem CID11773467
Molecular FormulaC19H22CrO5
Molecular Weight382.38 g/mol
Exact Mass382.09
IUPAC Namecarbon monoxide;chromium;(1S,4E)-4-ethylidene-7,8-dimethoxy-1,6-dimethyl-2,3-dihydro-1H-naphthalene
SMILESC/C=C1\CC[C@H](C)c2c1cc(C)c(OC)c2OC.[C-]#[O+].[C-]#[O+].[C-]#[O+].[Cr]
InChIInChI=1S/C16H22O2.3CO.Cr/c1-6-12-8-7-10(2)14-13(12)9-11(3)15(17-4)16(14)18-5;3*1-2;/h6,9-10H,7-8H2,1-5H3;;;;/b12-6+;;;;/t10-;;;;/m0..../s1
InChIKeyWJBJXLWAGBPSGR-SPJPFMQESA-N
XLogP4.20
TPSA78.16 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.38
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'charged_oxygen_or_sulfur_atoms', 'substructure': 'N/A'}

Analyze carbon monoxide;chromium;(1S,4E)-4-ethylidene-7,8-dimethoxy-1,6-dimethyl-2,3-dihydro-1H-naphthalene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1R,4S)-5,6-dimethoxy-4,7-dimethyl-1-prop-1-en-2-yl-1,2,3,4-tetrahydronaphthalene
CID 14864209
(2S)-2-(4-methoxy-3,5-dimethylphenyl)azetidine;hydrochloride
CID 171196939
7,8-dimethoxy-4,5-dimethyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 115417584
(1R)-7,8-dimethoxy-4,5-dimethyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 115417582
3-methoxy-2,4,5-trimethyl-6,7-dihydro-5H-cyclopenta[b]pyridine
CID 89025689
(2R)-2-(4-methoxy-3,5-dimethylphenyl)pyrrolidine
CID 66518898
(4-methoxy-3,5-dimethylphenyl)-methyliodanium
CID 22251529
5-cyclopropyloxy-2-methoxy-1,3-dimethylbenzene
CID 130057399
2-(2-chloro-3,6-dimethoxy-4-methylphenyl)piperidine
CID 117427671
5-(1-bromo-2-cyclopropylethyl)-2-methoxy-1,3-dimethylbenzene
CID 83068659
(2S)-2-(4-methoxy-3,5-dimethylphenyl)piperidine;hydrochloride
CID 171195127
9-methoxy-4-methyl-3,4-dihydro-2H-phenanthren-1-one
CID 115417405

Frequently Asked Questions

What is the IUPAC name of carbon monoxide;chromium;(1S,4E)-4-ethylidene-7,8-dimethoxy-1,6-dimethyl-2,3-dihydro-1H-naphthalene?
The IUPAC name of carbon monoxide;chromium;(1S,4E)-4-ethylidene-7,8-dimethoxy-1,6-dimethyl-2,3-dihydro-1H-naphthalene (CID 11773467) is carbon monoxide;chromium;(1S,4E)-4-ethylidene-7,8-dimethoxy-1,6-dimethyl-2,3-dihydro-1H-naphthalene.
What is the SMILES notation for carbon monoxide;chromium;(1S,4E)-4-ethylidene-7,8-dimethoxy-1,6-dimethyl-2,3-dihydro-1H-naphthalene?
The canonical SMILES for carbon monoxide;chromium;(1S,4E)-4-ethylidene-7,8-dimethoxy-1,6-dimethyl-2,3-dihydro-1H-naphthalene is C/C=C1\CC[C@H](C)c2c1cc(C)c(OC)c2OC.[C-]#[O+].[C-]#[O+].[C-]#[O+].[Cr].
What is the InChIKey of carbon monoxide;chromium;(1S,4E)-4-ethylidene-7,8-dimethoxy-1,6-dimethyl-2,3-dihydro-1H-naphthalene?
The InChIKey is WJBJXLWAGBPSGR-SPJPFMQESA-N. The full InChI is InChI=1S/C16H22O2.3CO.Cr/c1-6-12-8-7-10(2)14-13(12)9-11(3)15(17-4)16(14)18-5;3*1-2;/h6,9-10H,7-8H2,1-5H3;;;;/b12-6+;;;;/t10-;;;;/m0..../s1.
What are the key properties of carbon monoxide;chromium;(1S,4E)-4-ethylidene-7,8-dimethoxy-1,6-dimethyl-2,3-dihydro-1H-naphthalene?
carbon monoxide;chromium;(1S,4E)-4-ethylidene-7,8-dimethoxy-1,6-dimethyl-2,3-dihydro-1H-naphthalene has a molecular weight of 382.38 g/mol, XLogP of 4.20, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for carbon monoxide;chromium;(1S,4E)-4-ethylidene-7,8-dimethoxy-1,6-dimethyl-2,3-dihydro-1H-naphthalene is sourced from PubChem (CID 11773467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).