butoxymethanone;ethene;3-(4-methylcyclohexyl)propyl prop-2-enoate;propoxymethanone;(3,3,5-trimethylcyclohexyl) prop-2-enoate;tungsten;tris(tungsten(2+))

C45H74O10W5-2 — CID 160805423

IUPACbutoxymethanone;ethene;3-(4-methylcyclohexyl)propyl prop-2-enoate;propoxymethanone;(3,3,5-trimethylcyclohexyl) prop-2-enoate;tungsten;tris(tungsten(2+))
SMILESC=[C-]C(=O)OC1CC(C)CC(C)(C)C1.C=[C-]C(=O)OCCCC1CCC(C)CC1.CCCCO[C-]=O.CCCCO[C-]=O.CCCO[C-]=O.[H][C-]=C.[H][C-]=C.[H][C-]=C.[W+2].[W+2].[W+2].[W].[W]
InChIInChI=1S/C13H21O2.C12H19O2.2C5H9O2.C4H7O2.3C2H3.5W/c1-3-13(14)15-10-4-5-12-8-6-11(2)7-9-12;1-5-11(13)14-10-6-9(2)7-12(3,4)8-10;2*1-2-3-4-7-5-6;1-2-3-6-4-5;3*1-2;;;;;/h11-12H,1,4-10H2,2H3;9-10H,1,6-8H2,2-4H3;2*2-4H2,1H3;2-3H2,1H3;3*1H,2H2;;;;;/q8*-1;;;3*+2
InChIKeyGYTVOCUSLBBZPY-UHFFFAOYSA-N
MW1694.28 g/mol
LogP9.88
Rot. Bonds18

About butoxymethanone;ethene;3-(4-methylcyclohexyl)propyl prop-2-enoate;propoxymethanone;(3,3,5-trimethylcyclohexyl) prop-2-enoate;tungsten;tris(tungsten(2+))

butoxymethanone;ethene;3-(4-methylcyclohexyl)propyl prop-2-enoate;propoxymethanone;(3,3,5-trimethylcyclohexyl) prop-2-enoate;tungsten;tris(tungsten(2+)) (PubChem CID 160805423) has the molecular formula C45H74O10W5-2 and a molecular weight of 1694.28 g/mol. Its IUPAC name is butoxymethanone;ethene;3-(4-methylcyclohexyl)propyl prop-2-enoate;propoxymethanone;(3,3,5-trimethylcyclohexyl) prop-2-enoate;tungsten;tris(tungsten(2+)).

Molecular Properties

Compound Namebutoxymethanone;ethene;3-(4-methylcyclohexyl)propyl prop-2-enoate;propoxymethanone;(3,3,5-trimethylcyclohexyl) prop-2-enoate;tungsten;tris(tungsten(2+))
PubChem CID160805423
Molecular FormulaC45H74O10W5-2
Molecular Weight1694.28 g/mol
Exact Mass1694.28
IUPAC Namebutoxymethanone;ethene;3-(4-methylcyclohexyl)propyl prop-2-enoate;propoxymethanone;(3,3,5-trimethylcyclohexyl) prop-2-enoate;tungsten;tris(tungsten(2+))
SMILESC=[C-]C(=O)OC1CC(C)CC(C)(C)C1.C=[C-]C(=O)OCCCC1CCC(C)CC1.CCCCO[C-]=O.CCCCO[C-]=O.CCCO[C-]=O.[H][C-]=C.[H][C-]=C.[H][C-]=C.[W+2].[W+2].[W+2].[W].[W]
InChIInChI=1S/C13H21O2.C12H19O2.2C5H9O2.C4H7O2.3C2H3.5W/c1-3-13(14)15-10-4-5-12-8-6-11(2)7-9-12;1-5-11(13)14-10-6-9(2)7-12(3,4)8-10;2*1-2-3-4-7-5-6;1-2-3-6-4-5;3*1-2;;;;;/h11-12H,1,4-10H2,2H3;9-10H,1,6-8H2,2-4H3;2*2-4H2,1H3;2-3H2,1H3;3*1H,2H2;;;;;/q8*-1;;;3*+2
InChIKeyGYTVOCUSLBBZPY-UHFFFAOYSA-N
XLogP9.88
TPSA131.50 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds18
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001694.28
LogP ≤ 59.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze butoxymethanone;ethene;3-(4-methylcyclohexyl)propyl prop-2-enoate;propoxymethanone;(3,3,5-trimethylcyclohexyl) prop-2-enoate;tungsten;tris(tungsten(2+)) 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

[(1S,5S)-3,3,5-trimethylcyclohexyl] (2S)-2-hydroxypropanoate
CID 76962172
(3,3,5-trimethylcyclohexyl) (2S)-2-amino-3-hydroxypropanoate
CID 61303672
(3,3,5-trimethylcyclohexyl) 4-aminobutanoate
CID 61304471
3-cyclopropylpropyl 2-undecoxyacetate
CID 21427229
(3,3,5-trimethylcyclohexyl) (2R)-2-amino-3,3-dimethylbutanoate
CID 113353136
2-ethylhexyl 4-hydroxycyclohexane-1-carboxylate;hexyl 4-hydroxycyclohexane-1-carboxylate;4-hydroxycyclohexane-1-carboxylic acid;pentyl 4-hydroxycyclohexane-1-carboxylate;(3,3,5-trimethylcyclohexyl) 4-hydroxycyclohexane-1-carboxylate
CID 158997302
6-prop-2-enoyloxyhexyl 4-pentylcyclohexane-1-carboxylate
CID 126578276
5-cyclopropylpentyl tetradecanoate
CID 21445891
9-cyclopropylnonyl hexanoate
CID 21445837
6-[4-(4-pentylcyclohexyl)phenoxy]hexyl prop-2-enoate
CID 21036152
heptyl 4-[3-(4-pentylcyclohexyl)propoxy]benzoate
CID 54434645
(3,3,5-trimethylcyclohexyl) azepane-2-carboxylate
CID 64563078

Frequently Asked Questions

What is the IUPAC name of butoxymethanone;ethene;3-(4-methylcyclohexyl)propyl prop-2-enoate;propoxymethanone;(3,3,5-trimethylcyclohexyl) prop-2-enoate;tungsten;tris(tungsten(2+))?
The IUPAC name of butoxymethanone;ethene;3-(4-methylcyclohexyl)propyl prop-2-enoate;propoxymethanone;(3,3,5-trimethylcyclohexyl) prop-2-enoate;tungsten;tris(tungsten(2+)) (CID 160805423) is butoxymethanone;ethene;3-(4-methylcyclohexyl)propyl prop-2-enoate;propoxymethanone;(3,3,5-trimethylcyclohexyl) prop-2-enoate;tungsten;tris(tungsten(2+)).
What is the SMILES notation for butoxymethanone;ethene;3-(4-methylcyclohexyl)propyl prop-2-enoate;propoxymethanone;(3,3,5-trimethylcyclohexyl) prop-2-enoate;tungsten;tris(tungsten(2+))?
The canonical SMILES for butoxymethanone;ethene;3-(4-methylcyclohexyl)propyl prop-2-enoate;propoxymethanone;(3,3,5-trimethylcyclohexyl) prop-2-enoate;tungsten;tris(tungsten(2+)) is C=[C-]C(=O)OC1CC(C)CC(C)(C)C1.C=[C-]C(=O)OCCCC1CCC(C)CC1.CCCCO[C-]=O.CCCCO[C-]=O.CCCO[C-]=O.[H][C-]=C.[H][C-]=C.[H][C-]=C.[W+2].[W+2].[W+2].[W].[W].
What is the InChIKey of butoxymethanone;ethene;3-(4-methylcyclohexyl)propyl prop-2-enoate;propoxymethanone;(3,3,5-trimethylcyclohexyl) prop-2-enoate;tungsten;tris(tungsten(2+))?
The InChIKey is GYTVOCUSLBBZPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21O2.C12H19O2.2C5H9O2.C4H7O2.3C2H3.5W/c1-3-13(14)15-10-4-5-12-8-6-11(2)7-9-12;1-5-11(13)14-10-6-9(2)7-12(3,4)8-10;2*1-2-3-4-7-5-6;1-2-3-6-4-5;3*1-2;;;;;/h11-12H,1,4-10H2,2H3;9-10H,1,6-8H2,2-4H3;2*2-4H2,1H3;2-3H2,1H3;3*1H,2H2;;;;;/q8*-1;;;3*+2.
What are the key properties of butoxymethanone;ethene;3-(4-methylcyclohexyl)propyl prop-2-enoate;propoxymethanone;(3,3,5-trimethylcyclohexyl) prop-2-enoate;tungsten;tris(tungsten(2+))?
butoxymethanone;ethene;3-(4-methylcyclohexyl)propyl prop-2-enoate;propoxymethanone;(3,3,5-trimethylcyclohexyl) prop-2-enoate;tungsten;tris(tungsten(2+)) has a molecular weight of 1694.28 g/mol, XLogP of 9.88, 18 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for butoxymethanone;ethene;3-(4-methylcyclohexyl)propyl prop-2-enoate;propoxymethanone;(3,3,5-trimethylcyclohexyl) prop-2-enoate;tungsten;tris(tungsten(2+)) is sourced from PubChem (CID 160805423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).