[4-[diethyl-(4-prop-2-enoyloxycyclohexanecarbonyl)germyl]carbonylcyclohexyl] prop-2-enoate

C24H36GeO6 — CID 140658540

IUPAC[4-[diethyl-(4-prop-2-enoyloxycyclohexanecarbonyl)germyl]carbonylcyclohexyl] prop-2-enoate
SMILESC=CC(=O)OC1CCC(C(=O)[Ge](CC)(CC)C(=O)C2CCC(OC(=O)C=C)CC2)CC1
InChIInChI=1S/C24H36GeO6/c1-5-21(26)30-19-13-9-17(10-14-19)23(28)25(7-3,8-4)24(29)18-11-15-20(16-12-18)31-22(27)6-2/h5-6,17-20H,1-2,7-16H2,3-4H3
InChIKeyPPJBCWOVRSEIGI-UHFFFAOYSA-N
MW493.16 g/mol
LogP4.27
Rot. Bonds10

About [4-[diethyl-(4-prop-2-enoyloxycyclohexanecarbonyl)germyl]carbonylcyclohexyl] prop-2-enoate

[4-[diethyl-(4-prop-2-enoyloxycyclohexanecarbonyl)germyl]carbonylcyclohexyl] prop-2-enoate (PubChem CID 140658540) has the molecular formula C24H36GeO6 and a molecular weight of 493.16 g/mol. Its IUPAC name is [4-[diethyl-(4-prop-2-enoyloxycyclohexanecarbonyl)germyl]carbonylcyclohexyl] prop-2-enoate.

Molecular Properties

Compound Name[4-[diethyl-(4-prop-2-enoyloxycyclohexanecarbonyl)germyl]carbonylcyclohexyl] prop-2-enoate
PubChem CID140658540
Molecular FormulaC24H36GeO6
Molecular Weight493.16 g/mol
Exact Mass494.17
IUPAC Name[4-[diethyl-(4-prop-2-enoyloxycyclohexanecarbonyl)germyl]carbonylcyclohexyl] prop-2-enoate
SMILESC=CC(=O)OC1CCC(C(=O)[Ge](CC)(CC)C(=O)C2CCC(OC(=O)C=C)CC2)CC1
InChIInChI=1S/C24H36GeO6/c1-5-21(26)30-19-13-9-17(10-14-19)23(28)25(7-3,8-4)24(29)18-11-15-20(16-12-18)31-22(27)6-2/h5-6,17-20H,1-2,7-16H2,3-4H3
InChIKeyPPJBCWOVRSEIGI-UHFFFAOYSA-N
XLogP4.27
TPSA86.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.16
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze [4-[diethyl-(4-prop-2-enoyloxycyclohexanecarbonyl)germyl]carbonylcyclohexyl] prop-2-enoate with MolForge

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Related Compounds

CID 159294157
CID 159294157
[4-(hydroxymethyl)cyclohexyl] prop-2-enoate
CID 135259704
(4-decoxycyclohexyl) prop-2-enoate
CID 141237314
2-(4-prop-2-enoyloxycyclohexyl)acetic acid
CID 138732597
(6-ethyloxan-3-yl) prop-2-enoate
CID 145009692
cyclohexyl prop-2-enoate;2-methylprop-1-ene
CID 174895643
2-oxo-2-(4-prop-2-enoyloxycyclohexyl)oxyethanesulfonic acid
CID 166816239
(4-ethyl-3-propylcyclohexyl) prop-2-enoate
CID 166969439
cyclododecyl prop-2-enoate;prop-2-enoic acid
CID 162264812
3,3,3-trifluoro-2-(4-prop-2-enoyloxycyclohexanecarbonyl)oxy-2-(trifluoromethyl)propane-1-sulfonic acid
CID 126549856
(3-ethyl-5-methylcyclohexyl) prop-2-enoate
CID 89367928
[4-(4-methoxycyclohexyl)cyclohexyl] 3,4,5-tri(prop-2-enoyloxy)cyclohexane-1-carboxylate
CID 140713471

Frequently Asked Questions

What is the IUPAC name of [4-[diethyl-(4-prop-2-enoyloxycyclohexanecarbonyl)germyl]carbonylcyclohexyl] prop-2-enoate?
The IUPAC name of [4-[diethyl-(4-prop-2-enoyloxycyclohexanecarbonyl)germyl]carbonylcyclohexyl] prop-2-enoate (CID 140658540) is [4-[diethyl-(4-prop-2-enoyloxycyclohexanecarbonyl)germyl]carbonylcyclohexyl] prop-2-enoate.
What is the SMILES notation for [4-[diethyl-(4-prop-2-enoyloxycyclohexanecarbonyl)germyl]carbonylcyclohexyl] prop-2-enoate?
The canonical SMILES for [4-[diethyl-(4-prop-2-enoyloxycyclohexanecarbonyl)germyl]carbonylcyclohexyl] prop-2-enoate is C=CC(=O)OC1CCC(C(=O)[Ge](CC)(CC)C(=O)C2CCC(OC(=O)C=C)CC2)CC1.
What is the InChIKey of [4-[diethyl-(4-prop-2-enoyloxycyclohexanecarbonyl)germyl]carbonylcyclohexyl] prop-2-enoate?
The InChIKey is PPJBCWOVRSEIGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H36GeO6/c1-5-21(26)30-19-13-9-17(10-14-19)23(28)25(7-3,8-4)24(29)18-11-15-20(16-12-18)31-22(27)6-2/h5-6,17-20H,1-2,7-16H2,3-4H3.
What are the key properties of [4-[diethyl-(4-prop-2-enoyloxycyclohexanecarbonyl)germyl]carbonylcyclohexyl] prop-2-enoate?
[4-[diethyl-(4-prop-2-enoyloxycyclohexanecarbonyl)germyl]carbonylcyclohexyl] prop-2-enoate has a molecular weight of 493.16 g/mol, XLogP of 4.27, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[diethyl-(4-prop-2-enoyloxycyclohexanecarbonyl)germyl]carbonylcyclohexyl] prop-2-enoate is sourced from PubChem (CID 140658540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).