[6-[5-(5-oxooxolan-3-yl)pentyl]-2-bicyclo[2.2.1]heptanyl] 2-methylprop-2-enoate

C20H30O4 — CID 20731250

IUPAC[6-[5-(5-oxooxolan-3-yl)pentyl]-2-bicyclo[2.2.1]heptanyl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC1CC2CC(CCCCCC3COC(=O)C3)C1C2
InChIInChI=1S/C20H30O4/c1-13(2)20(22)24-18-10-15-8-16(17(18)9-15)7-5-3-4-6-14-11-19(21)23-12-14/h14-18H,1,3-12H2,2H3
InChIKeyGCJDZBUTOMDQLJ-UHFFFAOYSA-N
MW334.46 g/mol
LogP4.03
Rot. Bonds8

About [6-[5-(5-oxooxolan-3-yl)pentyl]-2-bicyclo[2.2.1]heptanyl] 2-methylprop-2-enoate

[6-[5-(5-oxooxolan-3-yl)pentyl]-2-bicyclo[2.2.1]heptanyl] 2-methylprop-2-enoate (PubChem CID 20731250) has the molecular formula C20H30O4 and a molecular weight of 334.46 g/mol. Its IUPAC name is [6-[5-(5-oxooxolan-3-yl)pentyl]-2-bicyclo[2.2.1]heptanyl] 2-methylprop-2-enoate.

Molecular Properties

Compound Name[6-[5-(5-oxooxolan-3-yl)pentyl]-2-bicyclo[2.2.1]heptanyl] 2-methylprop-2-enoate
PubChem CID20731250
Molecular FormulaC20H30O4
Molecular Weight334.46 g/mol
Exact Mass334.21
IUPAC Name[6-[5-(5-oxooxolan-3-yl)pentyl]-2-bicyclo[2.2.1]heptanyl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC1CC2CC(CCCCCC3COC(=O)C3)C1C2
InChIInChI=1S/C20H30O4/c1-13(2)20(22)24-18-10-15-8-16(17(18)9-15)7-5-3-4-6-14-11-19(21)23-12-14/h14-18H,1,3-12H2,2H3
InChIKeyGCJDZBUTOMDQLJ-UHFFFAOYSA-N
XLogP4.03
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.46
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze [6-[5-(5-oxooxolan-3-yl)pentyl]-2-bicyclo[2.2.1]heptanyl] 2-methylprop-2-enoate with MolForge

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Related Compounds

[6-(5-oxooxolan-2-yl)-2-bicyclo[2.2.1]heptanyl] 2-methylprop-2-enoate;[6-[4-(5-oxooxolan-3-yl)butyl]-2-bicyclo[2.2.1]heptanyl] 2-methylprop-2-enoate;[6-[2-(5-oxooxolan-2-yl)ethyl]-2-bicyclo[2.2.1]heptanyl] 2-methylprop-2-enoate;[6-[6-(2-oxooxolan-3-yl)hexyl]-2-bicyclo[2.2.1]heptanyl] 2-methylprop-2-enoate;[6-[(5-oxooxolan-2-yl)methyl]-2-bicyclo[2.2.1]heptanyl] 2-methylprop-2-enoate;[6-[5-(5-oxooxolan-3-yl)pentyl]-2-bicyclo[2.2.1]heptanyl] 2-methylprop-2-enoate;[6-[3-(5-oxooxolan-3-yl)propyl]-2-bicyclo[2.2.1]heptanyl] 2-methylprop-2-enoate;(2'-oxospiro[bicyclo[2.2.1]heptane-6,3'-oxolane]-2-yl) 2-methylprop-2-enoate;(2'-oxospiro[bicyclo[2.2.1]heptane-6,4'-oxolane]-2-yl) 2-methylprop-2-enoate
CID 160958447
[(7S)-3-oxo-4-oxatricyclo[5.2.1.02,6]decan-8-yl] 2-methylprop-2-enoate
CID 126487493
(4-oxo-3-oxatricyclo[5.2.1.02,6]decan-8-yl) 2-methylprop-2-enoate
CID 59460117
[(1S,2R,4S,6S)-6-butyl-2-bicyclo[2.2.1]heptanyl] 2-chloroacetate
CID 42631854
(2-octadecylcyclohexyl) 2-methylprop-2-enoate
CID 141237308
4-[3-[3-[3-(5-oxooxolan-3-yl)propoxy]propoxy]propyl]oxolan-2-one
CID 22737272
(1-oxo-4,4a,5,6,7,7a-hexahydro-3H-cyclopenta[c]pyran-5-yl) 2-methylprop-2-enoate
CID 22168872
1,9-bis(5-oxooxolan-3-yl)nonane-3,7-dione
CID 23431265
(4-nonylcyclohexyl) 2-methylprop-2-enoate
CID 141237341
(5-propyl-2-bicyclo[2.2.1]heptanyl) 2-methylprop-2-enoate
CID 58963993
(3-decylcyclohexyl) 2-methylprop-2-enoate
CID 141237299
[6-[5,5,5-trifluoro-4-hydroxy-4-(trifluoromethyl)pentan-2-yl]oxy-2-bicyclo[2.2.1]heptanyl] 2-methylprop-2-enoate
CID 89359573

Frequently Asked Questions

What is the IUPAC name of [6-[5-(5-oxooxolan-3-yl)pentyl]-2-bicyclo[2.2.1]heptanyl] 2-methylprop-2-enoate?
The IUPAC name of [6-[5-(5-oxooxolan-3-yl)pentyl]-2-bicyclo[2.2.1]heptanyl] 2-methylprop-2-enoate (CID 20731250) is [6-[5-(5-oxooxolan-3-yl)pentyl]-2-bicyclo[2.2.1]heptanyl] 2-methylprop-2-enoate.
What is the SMILES notation for [6-[5-(5-oxooxolan-3-yl)pentyl]-2-bicyclo[2.2.1]heptanyl] 2-methylprop-2-enoate?
The canonical SMILES for [6-[5-(5-oxooxolan-3-yl)pentyl]-2-bicyclo[2.2.1]heptanyl] 2-methylprop-2-enoate is C=C(C)C(=O)OC1CC2CC(CCCCCC3COC(=O)C3)C1C2.
What is the InChIKey of [6-[5-(5-oxooxolan-3-yl)pentyl]-2-bicyclo[2.2.1]heptanyl] 2-methylprop-2-enoate?
The InChIKey is GCJDZBUTOMDQLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30O4/c1-13(2)20(22)24-18-10-15-8-16(17(18)9-15)7-5-3-4-6-14-11-19(21)23-12-14/h14-18H,1,3-12H2,2H3.
What are the key properties of [6-[5-(5-oxooxolan-3-yl)pentyl]-2-bicyclo[2.2.1]heptanyl] 2-methylprop-2-enoate?
[6-[5-(5-oxooxolan-3-yl)pentyl]-2-bicyclo[2.2.1]heptanyl] 2-methylprop-2-enoate has a molecular weight of 334.46 g/mol, XLogP of 4.03, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[5-(5-oxooxolan-3-yl)pentyl]-2-bicyclo[2.2.1]heptanyl] 2-methylprop-2-enoate is sourced from PubChem (CID 20731250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).