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

C10H16OW — CID 134979753

IUPAC[[(1S,6S)-4,6-dimethylcyclohex-3-en-1-yl]-methoxymethylidene]tungsten
SMILESCOC(=[W])[C@H]1CC=C(C)C[C@@H]1C
InChIInChI=1S/C10H16O.W/c1-8-4-5-10(7-11-3)9(2)6-8;/h4,9-10H,5-6H2,1-3H3;/t9-,10+;/m0./s1
InChIKeySIMUYEUITPTUCX-BAUSSPIASA-N
MW336.08 g/mol
LogP2.30
Rot. Bonds2

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

[[(1S,6S)-4,6-dimethylcyclohex-3-en-1-yl]-methoxymethylidene]tungsten (PubChem CID 134979753) has the molecular formula C10H16OW and a molecular weight of 336.08 g/mol. Its IUPAC name is [[(1S,6S)-4,6-dimethylcyclohex-3-en-1-yl]-methoxymethylidene]tungsten.

Molecular Properties

Compound Name[[(1S,6S)-4,6-dimethylcyclohex-3-en-1-yl]-methoxymethylidene]tungsten
PubChem CID134979753
Molecular FormulaC10H16OW
Molecular Weight336.08 g/mol
Exact Mass336.07
IUPAC Name[[(1S,6S)-4,6-dimethylcyclohex-3-en-1-yl]-methoxymethylidene]tungsten
SMILESCOC(=[W])[C@H]1CC=C(C)C[C@@H]1C
InChIInChI=1S/C10H16O.W/c1-8-4-5-10(7-11-3)9(2)6-8;/h4,9-10H,5-6H2,1-3H3;/t9-,10+;/m0./s1
InChIKeySIMUYEUITPTUCX-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 ≤ 500336.08
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]chromium
CID 134979472
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
[(1S,6S)-6-acetyl-3-methylcyclohex-3-en-1-yl] acetate
CID 11528517
(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
diethyl 4-methylcyclohex-4-ene-1,2-dicarboxylate
CID 564350
1-[(1R,6R)-4,6-dimethylcyclohex-3-en-1-yl]-4-methylbenzene
CID 167554926

Frequently Asked Questions

What is the IUPAC name of [[(1S,6S)-4,6-dimethylcyclohex-3-en-1-yl]-methoxymethylidene]tungsten?
The IUPAC name of [[(1S,6S)-4,6-dimethylcyclohex-3-en-1-yl]-methoxymethylidene]tungsten (CID 134979753) is [[(1S,6S)-4,6-dimethylcyclohex-3-en-1-yl]-methoxymethylidene]tungsten.
What is the SMILES notation for [[(1S,6S)-4,6-dimethylcyclohex-3-en-1-yl]-methoxymethylidene]tungsten?
The canonical SMILES for [[(1S,6S)-4,6-dimethylcyclohex-3-en-1-yl]-methoxymethylidene]tungsten is COC(=[W])[C@H]1CC=C(C)C[C@@H]1C.
What is the InChIKey of [[(1S,6S)-4,6-dimethylcyclohex-3-en-1-yl]-methoxymethylidene]tungsten?
The InChIKey is SIMUYEUITPTUCX-BAUSSPIASA-N. The full InChI is InChI=1S/C10H16O.W/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]tungsten?
[[(1S,6S)-4,6-dimethylcyclohex-3-en-1-yl]-methoxymethylidene]tungsten has a molecular weight of 336.08 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]tungsten is sourced from PubChem (CID 134979753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).