1-[2,2-bis(2-prop-2-enoyloxypropyl)cyclohexyl]propan-2-yl prop-2-enoate

C24H36O6 — CID 141365621

IUPAC1-[2,2-bis(2-prop-2-enoyloxypropyl)cyclohexyl]propan-2-yl prop-2-enoate
SMILESC=CC(=O)OC(C)CC1CCCCC1(CC(C)OC(=O)C=C)CC(C)OC(=O)C=C
InChIInChI=1S/C24H36O6/c1-7-21(25)28-17(4)14-20-12-10-11-13-24(20,15-18(5)29-22(26)8-2)16-19(6)30-23(27)9-3/h7-9,17-20H,1-3,10-16H2,4-6H3
InChIKeyVVVUDRFPNDFBHA-UHFFFAOYSA-N
MW420.55 g/mol
LogP4.69
Rot. Bonds12

About 1-[2,2-bis(2-prop-2-enoyloxypropyl)cyclohexyl]propan-2-yl prop-2-enoate

1-[2,2-bis(2-prop-2-enoyloxypropyl)cyclohexyl]propan-2-yl prop-2-enoate (PubChem CID 141365621) has the molecular formula C24H36O6 and a molecular weight of 420.55 g/mol. Its IUPAC name is 1-[2,2-bis(2-prop-2-enoyloxypropyl)cyclohexyl]propan-2-yl prop-2-enoate.

Molecular Properties

Compound Name1-[2,2-bis(2-prop-2-enoyloxypropyl)cyclohexyl]propan-2-yl prop-2-enoate
PubChem CID141365621
Molecular FormulaC24H36O6
Molecular Weight420.55 g/mol
Exact Mass420.25
IUPAC Name1-[2,2-bis(2-prop-2-enoyloxypropyl)cyclohexyl]propan-2-yl prop-2-enoate
SMILESC=CC(=O)OC(C)CC1CCCCC1(CC(C)OC(=O)C=C)CC(C)OC(=O)C=C
InChIInChI=1S/C24H36O6/c1-7-21(25)28-17(4)14-20-12-10-11-13-24(20,15-18(5)29-22(26)8-2)16-19(6)30-23(27)9-3/h7-9,17-20H,1-3,10-16H2,4-6H3
InChIKeyVVVUDRFPNDFBHA-UHFFFAOYSA-N
XLogP4.69
TPSA78.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.55
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1-(2-prop-2-enoyloxypropyl)cyclohexane-1,2-dicarboxylic acid
CID 56634315
1-(2-methyloxetan-2-yl)propan-2-yl prop-2-enoate
CID 141251975
1-[2-(trifluoromethyl)oxiran-2-yl]propan-2-yl prop-2-enoate
CID 141274288
6-prop-2-enoyloxyheptan-2-yl prop-2-enoate
CID 58537732
CID 172734708
CID 172734708
5-oxohept-6-en-2-yl prop-2-enoate
CID 23534043
5-methylhexan-2-yl prop-2-enoate
CID 151222941
1-(dicyclohexylamino)ethyl prop-2-enoate
CID 142697109
4-methylpent-4-en-2-yl prop-2-enoate
CID 102248237
methane;2-prop-2-enoyloxypropyl prop-2-enoate
CID 161351901
2-prop-2-enoyloxypropyl 3-methylbutanoate
CID 170544082
1-[[1-(cyclohexanecarbonyl)cyclohexyl]oxycarbonylamino]ethyl prop-2-enoate
CID 140574115

Frequently Asked Questions

What is the IUPAC name of 1-[2,2-bis(2-prop-2-enoyloxypropyl)cyclohexyl]propan-2-yl prop-2-enoate?
The IUPAC name of 1-[2,2-bis(2-prop-2-enoyloxypropyl)cyclohexyl]propan-2-yl prop-2-enoate (CID 141365621) is 1-[2,2-bis(2-prop-2-enoyloxypropyl)cyclohexyl]propan-2-yl prop-2-enoate.
What is the SMILES notation for 1-[2,2-bis(2-prop-2-enoyloxypropyl)cyclohexyl]propan-2-yl prop-2-enoate?
The canonical SMILES for 1-[2,2-bis(2-prop-2-enoyloxypropyl)cyclohexyl]propan-2-yl prop-2-enoate is C=CC(=O)OC(C)CC1CCCCC1(CC(C)OC(=O)C=C)CC(C)OC(=O)C=C.
What is the InChIKey of 1-[2,2-bis(2-prop-2-enoyloxypropyl)cyclohexyl]propan-2-yl prop-2-enoate?
The InChIKey is VVVUDRFPNDFBHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H36O6/c1-7-21(25)28-17(4)14-20-12-10-11-13-24(20,15-18(5)29-22(26)8-2)16-19(6)30-23(27)9-3/h7-9,17-20H,1-3,10-16H2,4-6H3.
What are the key properties of 1-[2,2-bis(2-prop-2-enoyloxypropyl)cyclohexyl]propan-2-yl prop-2-enoate?
1-[2,2-bis(2-prop-2-enoyloxypropyl)cyclohexyl]propan-2-yl prop-2-enoate has a molecular weight of 420.55 g/mol, XLogP of 4.69, 12 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2,2-bis(2-prop-2-enoyloxypropyl)cyclohexyl]propan-2-yl prop-2-enoate is sourced from PubChem (CID 141365621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).