[1-(furan-2-yl)-3-[5-(1-prop-2-enoyloxycyclohexyl)furan-2-yl]cyclohexyl] 2-methylprop-2-enoate

C27H32O6 — CID 130238686

IUPAC[1-(furan-2-yl)-3-[5-(1-prop-2-enoyloxycyclohexyl)furan-2-yl]cyclohexyl] 2-methylprop-2-enoate
SMILESC=CC(=O)OC1(c2ccc(C3CCCC(OC(=O)C(=C)C)(c4ccco4)C3)o2)CCCCC1
InChIInChI=1S/C27H32O6/c1-4-24(28)32-26(14-6-5-7-15-26)23-13-12-21(31-23)20-10-8-16-27(18-20,22-11-9-17-30-22)33-25(29)19(2)3/h4,9,11-13,17,20H,1-2,5-8,10,14-16,18H2,3H3
InChIKeyGMQIZBWGEBBVPK-UHFFFAOYSA-N
MW452.55 g/mol
LogP6.43
Rot. Bonds7

About [1-(furan-2-yl)-3-[5-(1-prop-2-enoyloxycyclohexyl)furan-2-yl]cyclohexyl] 2-methylprop-2-enoate

[1-(furan-2-yl)-3-[5-(1-prop-2-enoyloxycyclohexyl)furan-2-yl]cyclohexyl] 2-methylprop-2-enoate (PubChem CID 130238686) has the molecular formula C27H32O6 and a molecular weight of 452.55 g/mol. Its IUPAC name is [1-(furan-2-yl)-3-[5-(1-prop-2-enoyloxycyclohexyl)furan-2-yl]cyclohexyl] 2-methylprop-2-enoate.

Molecular Properties

Compound Name[1-(furan-2-yl)-3-[5-(1-prop-2-enoyloxycyclohexyl)furan-2-yl]cyclohexyl] 2-methylprop-2-enoate
PubChem CID130238686
Molecular FormulaC27H32O6
Molecular Weight452.55 g/mol
Exact Mass452.22
IUPAC Name[1-(furan-2-yl)-3-[5-(1-prop-2-enoyloxycyclohexyl)furan-2-yl]cyclohexyl] 2-methylprop-2-enoate
SMILESC=CC(=O)OC1(c2ccc(C3CCCC(OC(=O)C(=C)C)(c4ccco4)C3)o2)CCCCC1
InChIInChI=1S/C27H32O6/c1-4-24(28)32-26(14-6-5-7-15-26)23-13-12-21(31-23)20-10-8-16-27(18-20,22-11-9-17-30-22)33-25(29)19(2)3/h4,9,11-13,17,20H,1-2,5-8,10,14-16,18H2,3H3
InChIKeyGMQIZBWGEBBVPK-UHFFFAOYSA-N
XLogP6.43
TPSA78.88 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.55
LogP ≤ 56.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze [1-(furan-2-yl)-3-[5-(1-prop-2-enoyloxycyclohexyl)furan-2-yl]cyclohexyl] 2-methylprop-2-enoate with MolForge

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Launch Full Analysis

Related Compounds

[3-(furan-2-yl)oxolan-3-yl] 2-methylprop-2-enoate
CID 138534197
[dicyclohexyl(oxolan-2-yl)methyl] prop-2-enoate;[dicyclopentyl(furan-2-yl)methyl] 2-methylprop-2-enoate;[dicyclopentyl(furan-2-yl)methyl] prop-2-enoate;[dicyclopentyl(oxolan-2-yl)methyl] 2-methylprop-2-enoate;[dicyclopentyl(oxolan-2-yl)methyl] prop-2-enoate;[1-(furan-2-yl)cyclohexyl] 2-methylprop-2-enoate;[1-(furan-2-yl)cyclohexyl] prop-2-enoate;[1-(furan-2-yl)cyclopentyl] 2-methylprop-2-enoate;[1-(furan-2-yl)cyclopentyl] prop-2-enoate;[1-(oxolan-2-yl)cyclohexyl] 2-methylprop-2-enoate;[1-(oxolan-3-yl)cyclohexyl] 2-methylprop-2-enoate;[1-(oxolan-2-yl)cyclohexyl] prop-2-enoate;[1-(oxolan-3-yl)cyclohexyl] prop-2-enoate;[1-(oxolan-2-yl)cyclopentyl] 2-methylprop-2-enoate;[1-(oxolan-3-yl)cyclopentyl] 2-methylprop-2-enoate;[1-(oxolan-3-yl)cyclopentyl] prop-2-enoate
CID 158598817
(1-cyclohexyl-2-prop-2-enoyloxycyclohexyl) 2-methylprop-2-enoate
CID 141485230
[1-(4-hydroxyphenyl)cyclopentyl] 2-methylprop-2-enoate
CID 168800149
1-[(1R,2S)-1-(furan-2-yl)-2-hydroxycyclohexyl]ethanone
CID 11458439
[1-(furan-2-yl)cyclopentyl] bicyclo[2.2.1]hept-5-ene-2-carboxylate
CID 58734452
[2-(2-bicyclo[2.2.1]heptanyl)-2-adamantyl] 2-methylprop-2-enoate;[2-(2-bicyclo[2.2.1]heptanyl)-2-adamantyl] prop-2-enoate;(2-cyclohexyl-2-adamantyl) 2-methylprop-2-enoate;(2-cyclohexyl-2-adamantyl) prop-2-enoate;(2-cyclopentyl-2-adamantyl) 2-methylprop-2-enoate;(2-cyclopentyl-2-adamantyl) prop-2-enoate
CID 160667012
(2,3-dioxo-1-bicyclo[2.2.1]heptanyl) 2-methylprop-2-enoate
CID 139917267
[1-(4-fluorophenyl)cyclohexyl] 3-(2-methylprop-2-enoyloxy)pentanoate;[1-(furan-2-yl)cyclohexyl] 3-(2-methylprop-2-enoyloxy)pentanoate;[1-(4-hydroxyphenyl)cyclohexyl] 3-(2-methylprop-2-enoyloxy)pentanoate;(3-phenyloxolan-3-yl) 3-(2-methylprop-2-enoyloxy)pentanoate
CID 161355793
2-[5-(acetyloxymethyl)oxolan-2-yl]propan-2-yl 2-methylprop-2-enoate;2-[5-(hydroxymethyl)oxolan-2-yl]propan-2-yl 2-methylprop-2-enoate;2-[5-(hydroxymethyl)oxolan-2-yl]propan-2-yl prop-2-enoate;[1-[5-(methoxymethyl)furan-2-yl]cyclohexyl] 2-methylprop-2-enoate;[1-[5-(methoxymethyl)furan-2-yl]cyclopentyl] 2-methylprop-2-enoate;2-[5-(methoxymethyl)furan-2-yl]propan-2-yl 2-methylprop-2-enoate;[1-[5-(methoxymethyl)oxolan-2-yl]cyclohexyl] 2-methylprop-2-enoate;[1-[5-(methoxymethyl)oxolan-2-yl]cyclopentyl] 2-methylprop-2-enoate
CID 160647016
2-(furan-2-yl)oxolane-2-carboxylic acid
CID 178200785
2-(2-methoxyoxolan-2-yl)furan
CID 141004568

Frequently Asked Questions

What is the IUPAC name of [1-(furan-2-yl)-3-[5-(1-prop-2-enoyloxycyclohexyl)furan-2-yl]cyclohexyl] 2-methylprop-2-enoate?
The IUPAC name of [1-(furan-2-yl)-3-[5-(1-prop-2-enoyloxycyclohexyl)furan-2-yl]cyclohexyl] 2-methylprop-2-enoate (CID 130238686) is [1-(furan-2-yl)-3-[5-(1-prop-2-enoyloxycyclohexyl)furan-2-yl]cyclohexyl] 2-methylprop-2-enoate.
What is the SMILES notation for [1-(furan-2-yl)-3-[5-(1-prop-2-enoyloxycyclohexyl)furan-2-yl]cyclohexyl] 2-methylprop-2-enoate?
The canonical SMILES for [1-(furan-2-yl)-3-[5-(1-prop-2-enoyloxycyclohexyl)furan-2-yl]cyclohexyl] 2-methylprop-2-enoate is C=CC(=O)OC1(c2ccc(C3CCCC(OC(=O)C(=C)C)(c4ccco4)C3)o2)CCCCC1.
What is the InChIKey of [1-(furan-2-yl)-3-[5-(1-prop-2-enoyloxycyclohexyl)furan-2-yl]cyclohexyl] 2-methylprop-2-enoate?
The InChIKey is GMQIZBWGEBBVPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32O6/c1-4-24(28)32-26(14-6-5-7-15-26)23-13-12-21(31-23)20-10-8-16-27(18-20,22-11-9-17-30-22)33-25(29)19(2)3/h4,9,11-13,17,20H,1-2,5-8,10,14-16,18H2,3H3.
What are the key properties of [1-(furan-2-yl)-3-[5-(1-prop-2-enoyloxycyclohexyl)furan-2-yl]cyclohexyl] 2-methylprop-2-enoate?
[1-(furan-2-yl)-3-[5-(1-prop-2-enoyloxycyclohexyl)furan-2-yl]cyclohexyl] 2-methylprop-2-enoate has a molecular weight of 452.55 g/mol, XLogP of 6.43, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(furan-2-yl)-3-[5-(1-prop-2-enoyloxycyclohexyl)furan-2-yl]cyclohexyl] 2-methylprop-2-enoate is sourced from PubChem (CID 130238686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).