1-bicyclo[7.2.1]dodecanyl prop-2-enoate

C15H24O2 — CID 169221867

IUPAC1-bicyclo[7.2.1]dodecanyl prop-2-enoate
SMILESC=CC(=O)OC12CCCCCCCC(CC1)C2
InChIInChI=1S/C15H24O2/c1-2-14(16)17-15-10-7-5-3-4-6-8-13(12-15)9-11-15/h2,13H,1,3-12H2
InChIKeySNBSYIIJWGOFQN-UHFFFAOYSA-N
MW236.35 g/mol
LogP4.00
Rot. Bonds2

About 1-bicyclo[7.2.1]dodecanyl prop-2-enoate

1-bicyclo[7.2.1]dodecanyl prop-2-enoate (PubChem CID 169221867) has the molecular formula C15H24O2 and a molecular weight of 236.35 g/mol. Its IUPAC name is 1-bicyclo[7.2.1]dodecanyl prop-2-enoate.

Molecular Properties

Compound Name1-bicyclo[7.2.1]dodecanyl prop-2-enoate
PubChem CID169221867
Molecular FormulaC15H24O2
Molecular Weight236.35 g/mol
Exact Mass236.18
IUPAC Name1-bicyclo[7.2.1]dodecanyl prop-2-enoate
SMILESC=CC(=O)OC12CCCCCCCC(CC1)C2
InChIInChI=1S/C15H24O2/c1-2-14(16)17-15-10-7-5-3-4-6-8-13(12-15)9-11-15/h2,13H,1,3-12H2
InChIKeySNBSYIIJWGOFQN-UHFFFAOYSA-N
XLogP4.00
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.35
LogP ≤ 54.00
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[3.3.2]decanyl prop-2-enoate
CID 164546503
1-bicyclo[4.4.3]tridecanyl prop-2-enoate
CID 169221780
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
(3-buta-1,3-dien-2-yloxy-5-prop-2-enoyloxy-1-adamantyl) prop-2-enoate
CID 88927997
1-bicyclo[2.2.1]heptanyl N-(1-bicyclo[2.2.1]heptanyloxycarbonyl)carbamate
CID 68502130
[3-(cyclohexyloxymethoxy)-1-adamantyl] prop-2-enoate
CID 59202575
1-bicyclo[5.5.2]tetradecanyl 2-methylprop-2-enoate
CID 164546417
1-bicyclo[6.2.2]dodecanyl 2-methylprop-2-enoate
CID 164546621
1-bicyclo[5.3.2]dodecanyl 2-methylprop-2-enoate
CID 164546575
(1,2,2-trimethylcyclooctyl) prop-2-enoate
CID 164546648
[3,5-bis(2-hydroxyethoxy)-1-adamantyl] prop-2-enoate
CID 70171220

Frequently Asked Questions

What is the IUPAC name of 1-bicyclo[7.2.1]dodecanyl prop-2-enoate?
The IUPAC name of 1-bicyclo[7.2.1]dodecanyl prop-2-enoate (CID 169221867) is 1-bicyclo[7.2.1]dodecanyl prop-2-enoate.
What is the SMILES notation for 1-bicyclo[7.2.1]dodecanyl prop-2-enoate?
The canonical SMILES for 1-bicyclo[7.2.1]dodecanyl prop-2-enoate is C=CC(=O)OC12CCCCCCCC(CC1)C2.
What is the InChIKey of 1-bicyclo[7.2.1]dodecanyl prop-2-enoate?
The InChIKey is SNBSYIIJWGOFQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O2/c1-2-14(16)17-15-10-7-5-3-4-6-8-13(12-15)9-11-15/h2,13H,1,3-12H2.
What are the key properties of 1-bicyclo[7.2.1]dodecanyl prop-2-enoate?
1-bicyclo[7.2.1]dodecanyl prop-2-enoate has a molecular weight of 236.35 g/mol, XLogP of 4.00, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bicyclo[7.2.1]dodecanyl prop-2-enoate is sourced from PubChem (CID 169221867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).