[1,7,7-trimethyl-2-(2-methylprop-2-enoyloxymethyl)-2-bicyclo[2.2.1]heptanyl]methyl 2-methylprop-2-enoate

C20H30O4 — CID 163406255

IUPAC[1,7,7-trimethyl-2-(2-methylprop-2-enoyloxymethyl)-2-bicyclo[2.2.1]heptanyl]methyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCC1(COC(=O)C(=C)C)CC2CCC1(C)C2(C)C
InChIInChI=1S/C20H30O4/c1-13(2)16(21)23-11-20(12-24-17(22)14(3)4)10-15-8-9-19(20,7)18(15,5)6/h15H,1,3,8-12H2,2,4-7H3
InChIKeyLCLLEJFOPKBYOA-UHFFFAOYSA-N
MW334.46 g/mol
LogP4.06
Rot. Bonds6

About [1,7,7-trimethyl-2-(2-methylprop-2-enoyloxymethyl)-2-bicyclo[2.2.1]heptanyl]methyl 2-methylprop-2-enoate

[1,7,7-trimethyl-2-(2-methylprop-2-enoyloxymethyl)-2-bicyclo[2.2.1]heptanyl]methyl 2-methylprop-2-enoate (PubChem CID 163406255) has the molecular formula C20H30O4 and a molecular weight of 334.46 g/mol. Its IUPAC name is [1,7,7-trimethyl-2-(2-methylprop-2-enoyloxymethyl)-2-bicyclo[2.2.1]heptanyl]methyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name[1,7,7-trimethyl-2-(2-methylprop-2-enoyloxymethyl)-2-bicyclo[2.2.1]heptanyl]methyl 2-methylprop-2-enoate
PubChem CID163406255
Molecular FormulaC20H30O4
Molecular Weight334.46 g/mol
Exact Mass334.21
IUPAC Name[1,7,7-trimethyl-2-(2-methylprop-2-enoyloxymethyl)-2-bicyclo[2.2.1]heptanyl]methyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCC1(COC(=O)C(=C)C)CC2CCC1(C)C2(C)C
InChIInChI=1S/C20H30O4/c1-13(2)16(21)23-11-20(12-24-17(22)14(3)4)10-15-8-9-19(20,7)18(15,5)6/h15H,1,3,8-12H2,2,4-7H3
InChIKeyLCLLEJFOPKBYOA-UHFFFAOYSA-N
XLogP4.06
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.46
LogP ≤ 54.06
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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Frequently Asked Questions

What is the IUPAC name of [1,7,7-trimethyl-2-(2-methylprop-2-enoyloxymethyl)-2-bicyclo[2.2.1]heptanyl]methyl 2-methylprop-2-enoate?
The IUPAC name of [1,7,7-trimethyl-2-(2-methylprop-2-enoyloxymethyl)-2-bicyclo[2.2.1]heptanyl]methyl 2-methylprop-2-enoate (CID 163406255) is [1,7,7-trimethyl-2-(2-methylprop-2-enoyloxymethyl)-2-bicyclo[2.2.1]heptanyl]methyl 2-methylprop-2-enoate.
What is the SMILES notation for [1,7,7-trimethyl-2-(2-methylprop-2-enoyloxymethyl)-2-bicyclo[2.2.1]heptanyl]methyl 2-methylprop-2-enoate?
The canonical SMILES for [1,7,7-trimethyl-2-(2-methylprop-2-enoyloxymethyl)-2-bicyclo[2.2.1]heptanyl]methyl 2-methylprop-2-enoate is C=C(C)C(=O)OCC1(COC(=O)C(=C)C)CC2CCC1(C)C2(C)C.
What is the InChIKey of [1,7,7-trimethyl-2-(2-methylprop-2-enoyloxymethyl)-2-bicyclo[2.2.1]heptanyl]methyl 2-methylprop-2-enoate?
The InChIKey is LCLLEJFOPKBYOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30O4/c1-13(2)16(21)23-11-20(12-24-17(22)14(3)4)10-15-8-9-19(20,7)18(15,5)6/h15H,1,3,8-12H2,2,4-7H3.
What are the key properties of [1,7,7-trimethyl-2-(2-methylprop-2-enoyloxymethyl)-2-bicyclo[2.2.1]heptanyl]methyl 2-methylprop-2-enoate?
[1,7,7-trimethyl-2-(2-methylprop-2-enoyloxymethyl)-2-bicyclo[2.2.1]heptanyl]methyl 2-methylprop-2-enoate has a molecular weight of 334.46 g/mol, XLogP of 4.06, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1,7,7-trimethyl-2-(2-methylprop-2-enoyloxymethyl)-2-bicyclo[2.2.1]heptanyl]methyl 2-methylprop-2-enoate is sourced from PubChem (CID 163406255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).