[2,4,6-trimethyl-2-(2-methylprop-2-enoyloxy)cyclohexyl] 2-methylprop-2-enoate

C17H26O4 — CID 140557479

IUPAC[2,4,6-trimethyl-2-(2-methylprop-2-enoyloxy)cyclohexyl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC1C(C)CC(C)CC1(C)OC(=O)C(=C)C
InChIInChI=1S/C17H26O4/c1-10(2)15(18)20-14-13(6)8-12(5)9-17(14,7)21-16(19)11(3)4/h12-14H,1,3,8-9H2,2,4-7H3
InChIKeyNMWZNGLQUNFWER-UHFFFAOYSA-N
MW294.39 g/mol
LogP3.42
Rot. Bonds4

About [2,4,6-trimethyl-2-(2-methylprop-2-enoyloxy)cyclohexyl] 2-methylprop-2-enoate

[2,4,6-trimethyl-2-(2-methylprop-2-enoyloxy)cyclohexyl] 2-methylprop-2-enoate (PubChem CID 140557479) has the molecular formula C17H26O4 and a molecular weight of 294.39 g/mol. Its IUPAC name is [2,4,6-trimethyl-2-(2-methylprop-2-enoyloxy)cyclohexyl] 2-methylprop-2-enoate.

Molecular Properties

Compound Name[2,4,6-trimethyl-2-(2-methylprop-2-enoyloxy)cyclohexyl] 2-methylprop-2-enoate
PubChem CID140557479
Molecular FormulaC17H26O4
Molecular Weight294.39 g/mol
Exact Mass294.18
IUPAC Name[2,4,6-trimethyl-2-(2-methylprop-2-enoyloxy)cyclohexyl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC1C(C)CC(C)CC1(C)OC(=O)C(=C)C
InChIInChI=1S/C17H26O4/c1-10(2)15(18)20-14-13(6)8-12(5)9-17(14,7)21-16(19)11(3)4/h12-14H,1,3,8-9H2,2,4-7H3
InChIKeyNMWZNGLQUNFWER-UHFFFAOYSA-N
XLogP3.42
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.39
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2,4-dimethylcyclohexyl) 2-methylprop-2-enoate
CID 66694520
(1-cyclohexyl-2,2,4-trimethylcyclopentyl) 2-methylprop-2-enoate
CID 122533297
(4-cyano-8-methyl-8-tricyclo[5.2.1.02,6]decanyl) 2-methylprop-2-enoate
CID 22898229
[(3S,4S)-3,4-dimethyl-5-oxooxolan-3-yl] 2-methylprop-2-enoate
CID 118501645
(1,1,2,2,6,6-hexamethylpiperidin-1-ium-4-yl) 2-methylprop-2-enoate
CID 134380283
(1,2,2,3-tetramethylcyclopentyl) 2-methylprop-2-enoate
CID 164546927
(3-methyl-5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2-methylprop-2-enoate
CID 58734533
[(4S)-4,5-dimethyl-2-propanoyloxycyclohexyl] 2-methylprop-2-enoate
CID 89091482
1-tricyclo[3.2.1.03,6]octanyl 2-methylprop-2-enoate
CID 139921218
(2,2,6,6-tetramethyl-1-oxopiperidin-1-ium-4-yl) 2-methylprop-2-enoate
CID 102481533
(5,5,6-trimethyl-2-bicyclo[2.2.1]heptanyl) 2-methylprop-2-enoate
CID 153303586
(2,2-dihydroxy-1-adamantyl) 2-methylprop-2-enoate
CID 66666665

Frequently Asked Questions

What is the IUPAC name of [2,4,6-trimethyl-2-(2-methylprop-2-enoyloxy)cyclohexyl] 2-methylprop-2-enoate?
The IUPAC name of [2,4,6-trimethyl-2-(2-methylprop-2-enoyloxy)cyclohexyl] 2-methylprop-2-enoate (CID 140557479) is [2,4,6-trimethyl-2-(2-methylprop-2-enoyloxy)cyclohexyl] 2-methylprop-2-enoate.
What is the SMILES notation for [2,4,6-trimethyl-2-(2-methylprop-2-enoyloxy)cyclohexyl] 2-methylprop-2-enoate?
The canonical SMILES for [2,4,6-trimethyl-2-(2-methylprop-2-enoyloxy)cyclohexyl] 2-methylprop-2-enoate is C=C(C)C(=O)OC1C(C)CC(C)CC1(C)OC(=O)C(=C)C.
What is the InChIKey of [2,4,6-trimethyl-2-(2-methylprop-2-enoyloxy)cyclohexyl] 2-methylprop-2-enoate?
The InChIKey is NMWZNGLQUNFWER-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26O4/c1-10(2)15(18)20-14-13(6)8-12(5)9-17(14,7)21-16(19)11(3)4/h12-14H,1,3,8-9H2,2,4-7H3.
What are the key properties of [2,4,6-trimethyl-2-(2-methylprop-2-enoyloxy)cyclohexyl] 2-methylprop-2-enoate?
[2,4,6-trimethyl-2-(2-methylprop-2-enoyloxy)cyclohexyl] 2-methylprop-2-enoate has a molecular weight of 294.39 g/mol, XLogP of 3.42, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2,4,6-trimethyl-2-(2-methylprop-2-enoyloxy)cyclohexyl] 2-methylprop-2-enoate is sourced from PubChem (CID 140557479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).