1-bicyclo[3.3.2]decanyl prop-2-enoate

C13H20O2 — CID 164546503

IUPAC1-bicyclo[3.3.2]decanyl prop-2-enoate
SMILESC=CC(=O)OC12CCCC(CCC1)CC2
InChIInChI=1S/C13H20O2/c1-2-12(14)15-13-8-3-5-11(7-10-13)6-4-9-13/h2,11H,1,3-10H2
InChIKeySNTHSGKGNKZUKM-UHFFFAOYSA-N
MW208.30 g/mol
LogP3.22
Rot. Bonds2

About 1-bicyclo[3.3.2]decanyl prop-2-enoate

1-bicyclo[3.3.2]decanyl prop-2-enoate (PubChem CID 164546503) has the molecular formula C13H20O2 and a molecular weight of 208.30 g/mol. Its IUPAC name is 1-bicyclo[3.3.2]decanyl prop-2-enoate.

Molecular Properties

Compound Name1-bicyclo[3.3.2]decanyl prop-2-enoate
PubChem CID164546503
Molecular FormulaC13H20O2
Molecular Weight208.30 g/mol
Exact Mass208.15
IUPAC Name1-bicyclo[3.3.2]decanyl prop-2-enoate
SMILESC=CC(=O)OC12CCCC(CCC1)CC2
InChIInChI=1S/C13H20O2/c1-2-12(14)15-13-8-3-5-11(7-10-13)6-4-9-13/h2,11H,1,3-10H2
InChIKeySNTHSGKGNKZUKM-UHFFFAOYSA-N
XLogP3.22
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 53.22
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

1-bicyclo[4.4.3]tridecanyl prop-2-enoate
CID 169221780
1-bicyclo[7.2.1]dodecanyl prop-2-enoate
CID 169221867
1-bicyclo[3.3.2]decanyl acetate
CID 14119621
1-bicyclo[2.2.1]heptanyl prop-2-enoate;methyl prop-2-enoate
CID 175853176
1-bicyclo[2.2.1]heptanyl prop-2-enoate;ethene;ethenyl acetate
CID 86759008
1-bicyclo[5.3.2]dodecanyl 2-methylprop-2-enoate
CID 164546575
1-bicyclo[6.2.2]dodecanyl 2-methylprop-2-enoate
CID 164546621
1-bicyclo[5.5.2]tetradecanyl 2-methylprop-2-enoate
CID 164546417
(3-buta-1,3-dien-2-yloxy-5-prop-2-enoyloxy-1-adamantyl) prop-2-enoate
CID 88927997
[3,5-bis(2-hydroxyethoxy)-1-adamantyl] prop-2-enoate
CID 70171220
(2-hydroxy-1-bicyclo[2.2.1]heptanyl) prop-2-enoate
CID 140551082
(1,3-diaminocyclohexyl) prop-2-enoate
CID 174584266

Frequently Asked Questions

What is the IUPAC name of 1-bicyclo[3.3.2]decanyl prop-2-enoate?
The IUPAC name of 1-bicyclo[3.3.2]decanyl prop-2-enoate (CID 164546503) is 1-bicyclo[3.3.2]decanyl prop-2-enoate.
What is the SMILES notation for 1-bicyclo[3.3.2]decanyl prop-2-enoate?
The canonical SMILES for 1-bicyclo[3.3.2]decanyl prop-2-enoate is C=CC(=O)OC12CCCC(CCC1)CC2.
What is the InChIKey of 1-bicyclo[3.3.2]decanyl prop-2-enoate?
The InChIKey is SNTHSGKGNKZUKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O2/c1-2-12(14)15-13-8-3-5-11(7-10-13)6-4-9-13/h2,11H,1,3-10H2.
What are the key properties of 1-bicyclo[3.3.2]decanyl prop-2-enoate?
1-bicyclo[3.3.2]decanyl prop-2-enoate has a molecular weight of 208.30 g/mol, XLogP of 3.22, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bicyclo[3.3.2]decanyl prop-2-enoate is sourced from PubChem (CID 164546503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).