[4-[2-[bis(trimethylsilyloxy)methylsilyl]ethyl]-2-prop-2-enoyloxycyclohexyl] prop-2-enoate

C21H40O6Si3 — CID 154387314

IUPAC[4-[2-[bis(trimethylsilyloxy)methylsilyl]ethyl]-2-prop-2-enoyloxycyclohexyl] prop-2-enoate
SMILESC=CC(=O)OC1CCC(CC[SiH2]C(O[Si](C)(C)C)O[Si](C)(C)C)CC1OC(=O)C=C
InChIInChI=1S/C21H40O6Si3/c1-9-19(22)24-17-12-11-16(15-18(17)25-20(23)10-2)13-14-28-21(26-29(3,4)5)27-30(6,7)8/h9-10,16-18,21H,1-2,11-15,28H2,3-8H3
InChIKeyOYLJYAVMGRQMOV-UHFFFAOYSA-N
MW472.80 g/mol
LogP3.95
Rot. Bonds12

About [4-[2-[bis(trimethylsilyloxy)methylsilyl]ethyl]-2-prop-2-enoyloxycyclohexyl] prop-2-enoate

[4-[2-[bis(trimethylsilyloxy)methylsilyl]ethyl]-2-prop-2-enoyloxycyclohexyl] prop-2-enoate (PubChem CID 154387314) has the molecular formula C21H40O6Si3 and a molecular weight of 472.80 g/mol. Its IUPAC name is [4-[2-[bis(trimethylsilyloxy)methylsilyl]ethyl]-2-prop-2-enoyloxycyclohexyl] prop-2-enoate.

Molecular Properties

Compound Name[4-[2-[bis(trimethylsilyloxy)methylsilyl]ethyl]-2-prop-2-enoyloxycyclohexyl] prop-2-enoate
PubChem CID154387314
Molecular FormulaC21H40O6Si3
Molecular Weight472.80 g/mol
Exact Mass472.21
IUPAC Name[4-[2-[bis(trimethylsilyloxy)methylsilyl]ethyl]-2-prop-2-enoyloxycyclohexyl] prop-2-enoate
SMILESC=CC(=O)OC1CCC(CC[SiH2]C(O[Si](C)(C)C)O[Si](C)(C)C)CC1OC(=O)C=C
InChIInChI=1S/C21H40O6Si3/c1-9-19(22)24-17-12-11-16(15-18(17)25-20(23)10-2)13-14-28-21(26-29(3,4)5)27-30(6,7)8/h9-10,16-18,21H,1-2,11-15,28H2,3-8H3
InChIKeyOYLJYAVMGRQMOV-UHFFFAOYSA-N
XLogP3.95
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.80
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze [4-[2-[bis(trimethylsilyloxy)methylsilyl]ethyl]-2-prop-2-enoyloxycyclohexyl] prop-2-enoate 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

(4-ethyl-2-prop-2-enoyloxycyclohexyl) prop-2-enoate
CID 173227335
3-(3,4-dihydroxycyclohexyl)propyl prop-2-enoate
CID 141157724
9-oxatetracyclo[5.3.1.02,6.08,10]undecan-3-yl prop-2-enoate
CID 59642033
3-[bis[[ethenyl(dimethyl)silyl]oxy]methylsilyl]propyl but-2-enoate
CID 123266848
[2-hydroxy-4-(prop-2-enoyloxymethyl)cyclohexyl] 2-methylpropanoate
CID 167019590
[4-(hydroxymethyl)cyclohexyl] prop-2-enoate
CID 135259704
2-(4-methyloxetan-2-yl)ethyl prop-2-enoate
CID 121410457
[(4Z,8Z)-12-methoxycyclododeca-4,8-dien-1-yl] prop-2-enoate
CID 70451951
(5-hydroxy-2-bicyclo[2.2.1]heptanyl) prop-2-enoate
CID 20727695
[(3S,4R)-3,4-bis(5-prop-2-enoyloxypentanoyloxy)cyclohexyl] 5-prop-2-enoyloxypentanoate
CID 118150684
(12-methyl-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl) prop-2-enoate
CID 59060410
(9-methoxy-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl) prop-2-enoate
CID 20727718

Frequently Asked Questions

What is the IUPAC name of [4-[2-[bis(trimethylsilyloxy)methylsilyl]ethyl]-2-prop-2-enoyloxycyclohexyl] prop-2-enoate?
The IUPAC name of [4-[2-[bis(trimethylsilyloxy)methylsilyl]ethyl]-2-prop-2-enoyloxycyclohexyl] prop-2-enoate (CID 154387314) is [4-[2-[bis(trimethylsilyloxy)methylsilyl]ethyl]-2-prop-2-enoyloxycyclohexyl] prop-2-enoate.
What is the SMILES notation for [4-[2-[bis(trimethylsilyloxy)methylsilyl]ethyl]-2-prop-2-enoyloxycyclohexyl] prop-2-enoate?
The canonical SMILES for [4-[2-[bis(trimethylsilyloxy)methylsilyl]ethyl]-2-prop-2-enoyloxycyclohexyl] prop-2-enoate is C=CC(=O)OC1CCC(CC[SiH2]C(O[Si](C)(C)C)O[Si](C)(C)C)CC1OC(=O)C=C.
What is the InChIKey of [4-[2-[bis(trimethylsilyloxy)methylsilyl]ethyl]-2-prop-2-enoyloxycyclohexyl] prop-2-enoate?
The InChIKey is OYLJYAVMGRQMOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H40O6Si3/c1-9-19(22)24-17-12-11-16(15-18(17)25-20(23)10-2)13-14-28-21(26-29(3,4)5)27-30(6,7)8/h9-10,16-18,21H,1-2,11-15,28H2,3-8H3.
What are the key properties of [4-[2-[bis(trimethylsilyloxy)methylsilyl]ethyl]-2-prop-2-enoyloxycyclohexyl] prop-2-enoate?
[4-[2-[bis(trimethylsilyloxy)methylsilyl]ethyl]-2-prop-2-enoyloxycyclohexyl] prop-2-enoate has a molecular weight of 472.80 g/mol, XLogP of 3.95, 12 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-[bis(trimethylsilyloxy)methylsilyl]ethyl]-2-prop-2-enoyloxycyclohexyl] prop-2-enoate is sourced from PubChem (CID 154387314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).