[3-(1-bicyclo[2.2.1]heptanyloxy)oxan-2-yl]methyl prop-2-enoate

C16H24O4 — CID 91212407

IUPAC[3-(1-bicyclo[2.2.1]heptanyloxy)oxan-2-yl]methyl prop-2-enoate
SMILESC=CC(=O)OCC1OCCCC1OC12CCC(CC1)C2
InChIInChI=1S/C16H24O4/c1-2-15(17)19-11-14-13(4-3-9-18-14)20-16-7-5-12(10-16)6-8-16/h2,12-14H,1,3-11H2
InChIKeyWNQNRTLGIMJHCK-UHFFFAOYSA-N
MW280.36 g/mol
LogP2.61
Rot. Bonds5

About [3-(1-bicyclo[2.2.1]heptanyloxy)oxan-2-yl]methyl prop-2-enoate

[3-(1-bicyclo[2.2.1]heptanyloxy)oxan-2-yl]methyl prop-2-enoate (PubChem CID 91212407) has the molecular formula C16H24O4 and a molecular weight of 280.36 g/mol. Its IUPAC name is [3-(1-bicyclo[2.2.1]heptanyloxy)oxan-2-yl]methyl prop-2-enoate.

Molecular Properties

Compound Name[3-(1-bicyclo[2.2.1]heptanyloxy)oxan-2-yl]methyl prop-2-enoate
PubChem CID91212407
Molecular FormulaC16H24O4
Molecular Weight280.36 g/mol
Exact Mass280.17
IUPAC Name[3-(1-bicyclo[2.2.1]heptanyloxy)oxan-2-yl]methyl prop-2-enoate
SMILESC=CC(=O)OCC1OCCCC1OC12CCC(CC1)C2
InChIInChI=1S/C16H24O4/c1-2-15(17)19-11-14-13(4-3-9-18-14)20-16-7-5-12(10-16)6-8-16/h2,12-14H,1,3-11H2
InChIKeyWNQNRTLGIMJHCK-UHFFFAOYSA-N
XLogP2.61
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.36
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze [3-(1-bicyclo[2.2.1]heptanyloxy)oxan-2-yl]methyl prop-2-enoate with MolForge

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Related Compounds

(3-prop-2-enoyloxyoxan-2-yl)methyl prop-2-enoate
CID 137428547
[(2R)-oxolan-2-yl]methyl prop-2-enoate
CID 736022
ethene;oxolan-2-ylmethyl prop-2-enoate
CID 70419708
oxetan-2-ylmethyl prop-2-enoate
CID 23067256
1-bicyclo[7.2.1]dodecanyl prop-2-enoate
CID 169221867
1-bicyclo[2.2.1]heptanyl prop-2-enoate;methyl prop-2-enoate
CID 175853176
[3-(2-methylprop-2-enoyloxy)oxan-2-yl]methyl 2-methylprop-2-enoate
CID 129143087
oxolan-2-ylmethyl prop-2-enoate;[(1S,2S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl] prop-2-enoate
CID 68541728
2-methylidenebutanoic acid;oxolan-2-ylmethyl prop-2-enoate
CID 175439549
oxiran-2-ylmethyl prop-2-enoate;sulfane
CID 174424436
1-bicyclo[3.3.2]decanyl prop-2-enoate
CID 164546503
[1-(oxolan-2-yl)cyclopropyl] prop-2-enoate
CID 58734457

Frequently Asked Questions

What is the IUPAC name of [3-(1-bicyclo[2.2.1]heptanyloxy)oxan-2-yl]methyl prop-2-enoate?
The IUPAC name of [3-(1-bicyclo[2.2.1]heptanyloxy)oxan-2-yl]methyl prop-2-enoate (CID 91212407) is [3-(1-bicyclo[2.2.1]heptanyloxy)oxan-2-yl]methyl prop-2-enoate.
What is the SMILES notation for [3-(1-bicyclo[2.2.1]heptanyloxy)oxan-2-yl]methyl prop-2-enoate?
The canonical SMILES for [3-(1-bicyclo[2.2.1]heptanyloxy)oxan-2-yl]methyl prop-2-enoate is C=CC(=O)OCC1OCCCC1OC12CCC(CC1)C2.
What is the InChIKey of [3-(1-bicyclo[2.2.1]heptanyloxy)oxan-2-yl]methyl prop-2-enoate?
The InChIKey is WNQNRTLGIMJHCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24O4/c1-2-15(17)19-11-14-13(4-3-9-18-14)20-16-7-5-12(10-16)6-8-16/h2,12-14H,1,3-11H2.
What are the key properties of [3-(1-bicyclo[2.2.1]heptanyloxy)oxan-2-yl]methyl prop-2-enoate?
[3-(1-bicyclo[2.2.1]heptanyloxy)oxan-2-yl]methyl prop-2-enoate has a molecular weight of 280.36 g/mol, XLogP of 2.61, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(1-bicyclo[2.2.1]heptanyloxy)oxan-2-yl]methyl prop-2-enoate is sourced from PubChem (CID 91212407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).