(7-hydroxy-8-tricyclo[5.2.1.02,6]decanyl) prop-2-enoate

C13H18O3 — CID 141403387

IUPAC(7-hydroxy-8-tricyclo[5.2.1.02,6]decanyl) prop-2-enoate
SMILESC=CC(=O)OC1CC2CC1(O)C1CCCC21
InChIInChI=1S/C13H18O3/c1-2-12(14)16-11-6-8-7-13(11,15)10-5-3-4-9(8)10/h2,8-11,15H,1,3-7H2
InChIKeyODBHAWBPONKEIK-UHFFFAOYSA-N
MW222.28 g/mol
LogP1.66
Rot. Bonds2

About (7-hydroxy-8-tricyclo[5.2.1.02,6]decanyl) prop-2-enoate

(7-hydroxy-8-tricyclo[5.2.1.02,6]decanyl) prop-2-enoate (PubChem CID 141403387) has the molecular formula C13H18O3 and a molecular weight of 222.28 g/mol. Its IUPAC name is (7-hydroxy-8-tricyclo[5.2.1.02,6]decanyl) prop-2-enoate.

Molecular Properties

Compound Name(7-hydroxy-8-tricyclo[5.2.1.02,6]decanyl) prop-2-enoate
PubChem CID141403387
Molecular FormulaC13H18O3
Molecular Weight222.28 g/mol
Exact Mass222.13
IUPAC Name(7-hydroxy-8-tricyclo[5.2.1.02,6]decanyl) prop-2-enoate
SMILESC=CC(=O)OC1CC2CC1(O)C1CCCC21
InChIInChI=1S/C13H18O3/c1-2-12(14)16-11-6-8-7-13(11,15)10-5-3-4-9(8)10/h2,8-11,15H,1,3-7H2
InChIKeyODBHAWBPONKEIK-UHFFFAOYSA-N
XLogP1.66
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.28
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Dicyclopentanyl Acrylate (stabilized with MEHQ)
CID 13001872
[1-Prop-2-enoyloxy-6-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propyl]-2-bicyclo[2.2.1]heptanyl] prop-2-enoate
CID 87109369
8-(Formyloxy)tricyclo[5,2,1,0 2,6]dec-3-yl acrylate
CID 132281623
Octahydro-1,6-bis(hydroxymethyl)-4,7-methano-1H-indene-2,5-diyl diacrylate
CID 44145728
2-(4-Oxatetracyclo[6.2.1.02,7.03,5]undecan-10-yloxy)ethyl prop-2-enoate
CID 13907996
4-[(3,4-Dihydroxy-1-tricyclo[5.2.1.02,6]decanyl)oxy]butyl prop-2-enoate
CID 18458440
2-[(3,4-Dihydroxy-1-tricyclo[5.2.1.02,6]decanyl)oxy]ethyl prop-2-enoate
CID 18458441
2-[(3,4-Dihydroxy-1-tricyclo[5.2.1.02,6]decanyl)oxy]ethyl 2-methylprop-2-enoate
CID 18458453
3-[(3,4-Dihydroxy-1-tricyclo[5.2.1.02,6]decanyl)oxy]propyl 2-methylprop-2-enoate
CID 18458456
[5-(Hydroxymethyl)-2-bicyclo[2.2.1]heptanyl] prop-2-enoate
CID 22227501
(4,5-Dihydroxy-8-tricyclo[5.2.1.02,6]decanyl) 2-methylprop-2-enoate
CID 22889405
(4,5-Dihydroxy-8-tricyclo[5.2.1.02,6]decanyl) prop-2-enoate
CID 22889408

Frequently Asked Questions

What is the IUPAC name of (7-hydroxy-8-tricyclo[5.2.1.02,6]decanyl) prop-2-enoate?
The IUPAC name of (7-hydroxy-8-tricyclo[5.2.1.02,6]decanyl) prop-2-enoate (CID 141403387) is (7-hydroxy-8-tricyclo[5.2.1.02,6]decanyl) prop-2-enoate.
What is the SMILES notation for (7-hydroxy-8-tricyclo[5.2.1.02,6]decanyl) prop-2-enoate?
The canonical SMILES for (7-hydroxy-8-tricyclo[5.2.1.02,6]decanyl) prop-2-enoate is C=CC(=O)OC1CC2CC1(O)C1CCCC21.
What is the InChIKey of (7-hydroxy-8-tricyclo[5.2.1.02,6]decanyl) prop-2-enoate?
The InChIKey is ODBHAWBPONKEIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O3/c1-2-12(14)16-11-6-8-7-13(11,15)10-5-3-4-9(8)10/h2,8-11,15H,1,3-7H2.
What are the key properties of (7-hydroxy-8-tricyclo[5.2.1.02,6]decanyl) prop-2-enoate?
(7-hydroxy-8-tricyclo[5.2.1.02,6]decanyl) prop-2-enoate has a molecular weight of 222.28 g/mol, XLogP of 1.66, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (7-hydroxy-8-tricyclo[5.2.1.02,6]decanyl) prop-2-enoate is sourced from PubChem (CID 141403387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).