[8-(methoxymethyl)-2-tricyclo[3.2.1.02,4]octanyl] 2-methylprop-2-enoate

C14H20O3 — CID 90127678

IUPAC[8-(methoxymethyl)-2-tricyclo[3.2.1.02,4]octanyl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC12CC1C1CCC2C1COC
InChIInChI=1S/C14H20O3/c1-8(2)13(15)17-14-6-12(14)9-4-5-11(14)10(9)7-16-3/h9-12H,1,4-7H2,2-3H3
InChIKeySRVIAZNWVYBFRB-UHFFFAOYSA-N
MW236.31 g/mol
LogP2.17
Rot. Bonds4

About [8-(methoxymethyl)-2-tricyclo[3.2.1.02,4]octanyl] 2-methylprop-2-enoate

[8-(methoxymethyl)-2-tricyclo[3.2.1.02,4]octanyl] 2-methylprop-2-enoate (PubChem CID 90127678) has the molecular formula C14H20O3 and a molecular weight of 236.31 g/mol. Its IUPAC name is [8-(methoxymethyl)-2-tricyclo[3.2.1.02,4]octanyl] 2-methylprop-2-enoate.

Molecular Properties

Compound Name[8-(methoxymethyl)-2-tricyclo[3.2.1.02,4]octanyl] 2-methylprop-2-enoate
PubChem CID90127678
Molecular FormulaC14H20O3
Molecular Weight236.31 g/mol
Exact Mass236.14
IUPAC Name[8-(methoxymethyl)-2-tricyclo[3.2.1.02,4]octanyl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC12CC1C1CCC2C1COC
InChIInChI=1S/C14H20O3/c1-8(2)13(15)17-14-6-12(14)9-4-5-11(14)10(9)7-16-3/h9-12H,1,4-7H2,2-3H3
InChIKeySRVIAZNWVYBFRB-UHFFFAOYSA-N
XLogP2.17
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze [8-(methoxymethyl)-2-tricyclo[3.2.1.02,4]octanyl] 2-methylprop-2-enoate with MolForge

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Related Compounds

1-tricyclo[3.2.1.02,7]octanyl 2-methylprop-2-enoate
CID 155725185
2-(2-methylprop-2-enoyloxy)tricyclo[3.2.1.02,4]octane-6-carboxylic acid
CID 149466474
(1,2-diethyl-3,3a,4,5,6,7,8,8a-octahydro-2H-azulen-1-yl) 2-methylprop-2-enoate
CID 164546618
(1,2-dicyclohexylcyclohexyl) 2-methylprop-2-enoate
CID 122533391
(4-ethyl-4-pentacyclo[6.4.1.13,6.02,7.09,12]tetradecanyl) 2-methylprop-2-enoate
CID 58819304
[7-(methoxymethyl)-2-bicyclo[2.2.1]hept-2-enyl] 2-methylprop-2-enoate
CID 88978643
(1-cyclohexyl-2-methylcyclohexyl) 2-methylprop-2-enoate
CID 122533389
[1-[4-(methoxymethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]cyclohexyl] 2-methylprop-2-enoate
CID 58734480
1-tricyclo[3.2.1.03,6]octanyl 2-methylprop-2-enoate
CID 139921218
[4-(2-methoxyethoxy)-1-methylcyclohexyl] 2-methylprop-2-enoate
CID 135225189
(1-butyl-2,3,3a,4,5,6,7,7a-octahydroinden-1-yl) 2-methylprop-2-enoate
CID 164546899
[8-ethyl-3-(2-methylcyclobutyl)-8-tricyclo[5.2.1.02,6]decanyl] 2-methylprop-2-enoate
CID 123904457

Frequently Asked Questions

What is the IUPAC name of [8-(methoxymethyl)-2-tricyclo[3.2.1.02,4]octanyl] 2-methylprop-2-enoate?
The IUPAC name of [8-(methoxymethyl)-2-tricyclo[3.2.1.02,4]octanyl] 2-methylprop-2-enoate (CID 90127678) is [8-(methoxymethyl)-2-tricyclo[3.2.1.02,4]octanyl] 2-methylprop-2-enoate.
What is the SMILES notation for [8-(methoxymethyl)-2-tricyclo[3.2.1.02,4]octanyl] 2-methylprop-2-enoate?
The canonical SMILES for [8-(methoxymethyl)-2-tricyclo[3.2.1.02,4]octanyl] 2-methylprop-2-enoate is C=C(C)C(=O)OC12CC1C1CCC2C1COC.
What is the InChIKey of [8-(methoxymethyl)-2-tricyclo[3.2.1.02,4]octanyl] 2-methylprop-2-enoate?
The InChIKey is SRVIAZNWVYBFRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O3/c1-8(2)13(15)17-14-6-12(14)9-4-5-11(14)10(9)7-16-3/h9-12H,1,4-7H2,2-3H3.
What are the key properties of [8-(methoxymethyl)-2-tricyclo[3.2.1.02,4]octanyl] 2-methylprop-2-enoate?
[8-(methoxymethyl)-2-tricyclo[3.2.1.02,4]octanyl] 2-methylprop-2-enoate has a molecular weight of 236.31 g/mol, XLogP of 2.17, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [8-(methoxymethyl)-2-tricyclo[3.2.1.02,4]octanyl] 2-methylprop-2-enoate is sourced from PubChem (CID 90127678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).