(4-ethyl-1-bicyclo[2.2.1]heptanyl)methyl 2-methylprop-2-enoate

C14H22O2 — CID 142040492

IUPAC(4-ethyl-1-bicyclo[2.2.1]heptanyl)methyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCC12CCC(CC)(CC1)C2
InChIInChI=1S/C14H22O2/c1-4-13-5-7-14(9-13,8-6-13)10-16-12(15)11(2)3/h2,4-10H2,1,3H3
InChIKeyKGZDAIOZXSORHP-UHFFFAOYSA-N
MW222.33 g/mol
LogP3.47
Rot. Bonds4

About (4-ethyl-1-bicyclo[2.2.1]heptanyl)methyl 2-methylprop-2-enoate

(4-ethyl-1-bicyclo[2.2.1]heptanyl)methyl 2-methylprop-2-enoate (PubChem CID 142040492) has the molecular formula C14H22O2 and a molecular weight of 222.33 g/mol. Its IUPAC name is (4-ethyl-1-bicyclo[2.2.1]heptanyl)methyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name(4-ethyl-1-bicyclo[2.2.1]heptanyl)methyl 2-methylprop-2-enoate
PubChem CID142040492
Molecular FormulaC14H22O2
Molecular Weight222.33 g/mol
Exact Mass222.16
IUPAC Name(4-ethyl-1-bicyclo[2.2.1]heptanyl)methyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCC12CCC(CC)(CC1)C2
InChIInChI=1S/C14H22O2/c1-4-13-5-7-14(9-13,8-6-13)10-16-12(15)11(2)3/h2,4-10H2,1,3H3
InChIKeyKGZDAIOZXSORHP-UHFFFAOYSA-N
XLogP3.47
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[3,5-bis(2-methylprop-2-enoyloxymethyl)-1-adamantyl]methyl 2-methylprop-2-enoate
CID 58325619
tris(hydroxymethyl 2-methylprop-2-enoate);propane
CID 157070076
cyanic acid;ethyl 2-methylprop-2-enoate
CID 172737974
ethyl 2-methylprop-2-enoate
CID 130475774
hydroxymethyl 2-methylprop-2-enoate
CID 159274421
tris(cyclododecane);[1-(hydroxymethyl)cyclododecyl]methyl 2-methylprop-2-enoate
CID 70385774
[2-(2-methyloxiran-2-yl)oxiran-2-yl]methyl 2-methylprop-2-enoate
CID 141396871
[2-(2-methylprop-2-enoyloxy)oxiran-2-yl]methyl 2-methylprop-2-enoate
CID 141141914
azane;hydroxymethyl 2-methylprop-2-enoate
CID 172791973
sodium ethyl 2-methylprop-2-enoate
CID 23346885
ethyl 2-methylprop-2-enoate;phosphane
CID 159151613
ethane;bis(ethyl 2-methylprop-2-enoate)
CID 146295289

Frequently Asked Questions

What is the IUPAC name of (4-ethyl-1-bicyclo[2.2.1]heptanyl)methyl 2-methylprop-2-enoate?
The IUPAC name of (4-ethyl-1-bicyclo[2.2.1]heptanyl)methyl 2-methylprop-2-enoate (CID 142040492) is (4-ethyl-1-bicyclo[2.2.1]heptanyl)methyl 2-methylprop-2-enoate.
What is the SMILES notation for (4-ethyl-1-bicyclo[2.2.1]heptanyl)methyl 2-methylprop-2-enoate?
The canonical SMILES for (4-ethyl-1-bicyclo[2.2.1]heptanyl)methyl 2-methylprop-2-enoate is C=C(C)C(=O)OCC12CCC(CC)(CC1)C2.
What is the InChIKey of (4-ethyl-1-bicyclo[2.2.1]heptanyl)methyl 2-methylprop-2-enoate?
The InChIKey is KGZDAIOZXSORHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O2/c1-4-13-5-7-14(9-13,8-6-13)10-16-12(15)11(2)3/h2,4-10H2,1,3H3.
What are the key properties of (4-ethyl-1-bicyclo[2.2.1]heptanyl)methyl 2-methylprop-2-enoate?
(4-ethyl-1-bicyclo[2.2.1]heptanyl)methyl 2-methylprop-2-enoate has a molecular weight of 222.33 g/mol, XLogP of 3.47, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethyl-1-bicyclo[2.2.1]heptanyl)methyl 2-methylprop-2-enoate is sourced from PubChem (CID 142040492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).