[[(1S,6S)-4,6-dimethylcyclohex-3-en-1-yl]-methoxymethylidene]chromium

C10H16CrO — CID 134979472

IUPAC[[(1S,6S)-4,6-dimethylcyclohex-3-en-1-yl]-methoxymethylidene]chromium
SMILESCOC(=[Cr])[C@H]1CC=C(C)C[C@@H]1C
InChIInChI=1S/C10H16O.Cr/c1-8-4-5-10(7-11-3)9(2)6-8;/h4,9-10H,5-6H2,1-3H3;/t9-,10+;/m0./s1
InChIKeyFPTCLHLZZAQWBE-BAUSSPIASA-N
MW204.23 g/mol
LogP2.30
Rot. Bonds2

About [[(1S,6S)-4,6-dimethylcyclohex-3-en-1-yl]-methoxymethylidene]chromium

[[(1S,6S)-4,6-dimethylcyclohex-3-en-1-yl]-methoxymethylidene]chromium (PubChem CID 134979472) has the molecular formula C10H16CrO and a molecular weight of 204.23 g/mol. Its IUPAC name is [[(1S,6S)-4,6-dimethylcyclohex-3-en-1-yl]-methoxymethylidene]chromium.

Molecular Properties

Compound Name[[(1S,6S)-4,6-dimethylcyclohex-3-en-1-yl]-methoxymethylidene]chromium
PubChem CID134979472
Molecular FormulaC10H16CrO
Molecular Weight204.23 g/mol
Exact Mass204.06
IUPAC Name[[(1S,6S)-4,6-dimethylcyclohex-3-en-1-yl]-methoxymethylidene]chromium
SMILESCOC(=[Cr])[C@H]1CC=C(C)C[C@@H]1C
InChIInChI=1S/C10H16O.Cr/c1-8-4-5-10(7-11-3)9(2)6-8;/h4,9-10H,5-6H2,1-3H3;/t9-,10+;/m0./s1
InChIKeyFPTCLHLZZAQWBE-BAUSSPIASA-N
XLogP2.30
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

[[(1S,6S)-4,6-dimethylcyclohex-3-en-1-yl]-methoxymethylidene]tungsten
CID 134979753
1-[(1S,6S)-4,6-dimethylcyclohex-3-en-1-yl]ethanone
CID 58114065
(4R,5R)-1,4,5-trimethylcyclohexene
CID 13226239
carbonic acid;1,4,5-trimethylcyclohexene
CID 70461884
(1S,2R)-4-methylcyclohex-4-ene-1,2-dicarboxylic acid
CID 787405
methyl 3-methylcyclopent-3-ene-1-carboxylate
CID 12732838
(4R,5R)-1,5-dimethyl-4-propan-2-ylcyclohexene;(4R,5S)-1,5-dimethyl-4-propan-2-ylcyclohexene;(4S,5R)-1,5-dimethyl-4-propan-2-ylcyclohexene;(4S,5S)-1,5-dimethyl-4-propan-2-ylcyclohexene;methane
CID 159750866
(1S,6S)-3-methyl-6-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohex-3-ene-1-carboxylic acid
CID 134429716
diethyl (1S,2S)-4-methylcyclohex-4-ene-1,2-dicarboxylate
CID 22215188
methyl (2S)-4-methyl-1,2,3,6-tetrahydropyridine-2-carboxylate
CID 45082153
diethyl 4-methylcyclohex-4-ene-1,2-dicarboxylate
CID 564350
[(1S,6S)-6-acetyl-3-methylcyclohex-3-en-1-yl] acetate
CID 11528517

Frequently Asked Questions

What is the IUPAC name of [[(1S,6S)-4,6-dimethylcyclohex-3-en-1-yl]-methoxymethylidene]chromium?
The IUPAC name of [[(1S,6S)-4,6-dimethylcyclohex-3-en-1-yl]-methoxymethylidene]chromium (CID 134979472) is [[(1S,6S)-4,6-dimethylcyclohex-3-en-1-yl]-methoxymethylidene]chromium.
What is the SMILES notation for [[(1S,6S)-4,6-dimethylcyclohex-3-en-1-yl]-methoxymethylidene]chromium?
The canonical SMILES for [[(1S,6S)-4,6-dimethylcyclohex-3-en-1-yl]-methoxymethylidene]chromium is COC(=[Cr])[C@H]1CC=C(C)C[C@@H]1C.
What is the InChIKey of [[(1S,6S)-4,6-dimethylcyclohex-3-en-1-yl]-methoxymethylidene]chromium?
The InChIKey is FPTCLHLZZAQWBE-BAUSSPIASA-N. The full InChI is InChI=1S/C10H16O.Cr/c1-8-4-5-10(7-11-3)9(2)6-8;/h4,9-10H,5-6H2,1-3H3;/t9-,10+;/m0./s1.
What are the key properties of [[(1S,6S)-4,6-dimethylcyclohex-3-en-1-yl]-methoxymethylidene]chromium?
[[(1S,6S)-4,6-dimethylcyclohex-3-en-1-yl]-methoxymethylidene]chromium has a molecular weight of 204.23 g/mol, XLogP of 2.30, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [[(1S,6S)-4,6-dimethylcyclohex-3-en-1-yl]-methoxymethylidene]chromium is sourced from PubChem (CID 134979472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).