(4,5-dihydroxy-8-tricyclo[5.2.1.02,6]decanyl) prop-2-enoate

C13H18O4 — CID 22889408

IUPAC(4,5-dihydroxy-8-tricyclo[5.2.1.02,6]decanyl) prop-2-enoate
SMILESC=CC(=O)OC1CC2CC1C1C(O)C(O)CC21
InChIInChI=1S/C13H18O4/c1-2-11(15)17-10-4-6-3-8(10)12-7(6)5-9(14)13(12)16/h2,6-10,12-14,16H,1,3-5H2
InChIKeyVXUDXVVTYIPLID-UHFFFAOYSA-N
MW238.28 g/mol
LogP0.48
Rot. Bonds2

About (4,5-dihydroxy-8-tricyclo[5.2.1.02,6]decanyl) prop-2-enoate

(4,5-dihydroxy-8-tricyclo[5.2.1.02,6]decanyl) prop-2-enoate (PubChem CID 22889408) has the molecular formula C13H18O4 and a molecular weight of 238.28 g/mol. Its IUPAC name is (4,5-dihydroxy-8-tricyclo[5.2.1.02,6]decanyl) prop-2-enoate.

Molecular Properties

Compound Name(4,5-dihydroxy-8-tricyclo[5.2.1.02,6]decanyl) prop-2-enoate
PubChem CID22889408
Molecular FormulaC13H18O4
Molecular Weight238.28 g/mol
Exact Mass238.12
IUPAC Name(4,5-dihydroxy-8-tricyclo[5.2.1.02,6]decanyl) prop-2-enoate
SMILESC=CC(=O)OC1CC2CC1C1C(O)C(O)CC21
InChIInChI=1S/C13H18O4/c1-2-11(15)17-10-4-6-3-8(10)12-7(6)5-9(14)13(12)16/h2,6-10,12-14,16H,1,3-5H2
InChIKeyVXUDXVVTYIPLID-UHFFFAOYSA-N
XLogP0.48
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.28
LogP ≤ 50.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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
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
(8-Prop-2-enoyloxy-4-tricyclo[5.2.1.02,6]decanyl)methyl prop-2-enoate
CID 18731164
[5-(Hydroxymethyl)-2-bicyclo[2.2.1]heptanyl] prop-2-enoate
CID 22227501
(9,10-Dihydroxy-4-methyl-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)methyl prop-2-enoate
CID 22889391
(4,5-Dihydroxy-8-tricyclo[5.2.1.02,6]decanyl) 2-methylprop-2-enoate
CID 22889405

Frequently Asked Questions

What is the IUPAC name of (4,5-dihydroxy-8-tricyclo[5.2.1.02,6]decanyl) prop-2-enoate?
The IUPAC name of (4,5-dihydroxy-8-tricyclo[5.2.1.02,6]decanyl) prop-2-enoate (CID 22889408) is (4,5-dihydroxy-8-tricyclo[5.2.1.02,6]decanyl) prop-2-enoate.
What is the SMILES notation for (4,5-dihydroxy-8-tricyclo[5.2.1.02,6]decanyl) prop-2-enoate?
The canonical SMILES for (4,5-dihydroxy-8-tricyclo[5.2.1.02,6]decanyl) prop-2-enoate is C=CC(=O)OC1CC2CC1C1C(O)C(O)CC21.
What is the InChIKey of (4,5-dihydroxy-8-tricyclo[5.2.1.02,6]decanyl) prop-2-enoate?
The InChIKey is VXUDXVVTYIPLID-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O4/c1-2-11(15)17-10-4-6-3-8(10)12-7(6)5-9(14)13(12)16/h2,6-10,12-14,16H,1,3-5H2.
What are the key properties of (4,5-dihydroxy-8-tricyclo[5.2.1.02,6]decanyl) prop-2-enoate?
(4,5-dihydroxy-8-tricyclo[5.2.1.02,6]decanyl) prop-2-enoate has a molecular weight of 238.28 g/mol, XLogP of 0.48, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4,5-dihydroxy-8-tricyclo[5.2.1.02,6]decanyl) prop-2-enoate is sourced from PubChem (CID 22889408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).