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

C14H20O4 — CID 22889405

IUPAC(4,5-dihydroxy-8-tricyclo[5.2.1.02,6]decanyl) 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC1CC2CC1C1C(O)C(O)CC21
InChIInChI=1S/C14H20O4/c1-6(2)14(17)18-11-4-7-3-9(11)12-8(7)5-10(15)13(12)16/h7-13,15-16H,1,3-5H2,2H3
InChIKeyMTJUSDMMCDSVTA-UHFFFAOYSA-N
MW252.31 g/mol
LogP0.87
Rot. Bonds2

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

(4,5-dihydroxy-8-tricyclo[5.2.1.02,6]decanyl) 2-methylprop-2-enoate (PubChem CID 22889405) has the molecular formula C14H20O4 and a molecular weight of 252.31 g/mol. Its IUPAC name is (4,5-dihydroxy-8-tricyclo[5.2.1.02,6]decanyl) 2-methylprop-2-enoate.

Molecular Properties

Compound Name(4,5-dihydroxy-8-tricyclo[5.2.1.02,6]decanyl) 2-methylprop-2-enoate
PubChem CID22889405
Molecular FormulaC14H20O4
Molecular Weight252.31 g/mol
Exact Mass252.14
IUPAC Name(4,5-dihydroxy-8-tricyclo[5.2.1.02,6]decanyl) 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC1CC2CC1C1C(O)C(O)CC21
InChIInChI=1S/C14H20O4/c1-6(2)14(17)18-11-4-7-3-9(11)12-8(7)5-10(15)13(12)16/h7-13,15-16H,1,3-5H2,2H3
InChIKeyMTJUSDMMCDSVTA-UHFFFAOYSA-N
XLogP0.87
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 50.87
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 methacrylate
CID 13782121
2-Methylprop-2-enoic acid;8-tricyclo[5.2.1.02,6]decanyl 2-methylprop-2-enoate
CID 158839944
5-Acetoxymethylnorborn-2-yl methacrylate
CID 58819278
Methyl 2-methylprop-2-enoate;8-tricyclo[5.2.1.02,6]decanyl 2-methylprop-2-enoate
CID 144414205
[5-[1-(4,4,4-Trifluoro-3-hydroxy-3-methylbutan-2-yl)oxycyclopentyl]-2-bicyclo[2.2.1]heptanyl] 2-methylprop-2-enoate
CID 129118500
[5-[1-(4,4,4-Trifluoro-3-hydroxy-2,3-dimethylbutan-2-yl)oxycyclopentyl]-2-bicyclo[2.2.1]heptanyl] 2-methylprop-2-enoate
CID 129118534
[5-[1-(3,3,3-Trifluoro-2-hydroxy-2-methylpropoxy)cyclopentyl]-2-bicyclo[2.2.1]heptanyl] 2-methylprop-2-enoate
CID 129118542
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 2-methylprop-2-enoate
CID 13907997
4-Oxatetracyclo[6.2.1.02,7.03,5]undecan-9-yl 2-methylprop-2-enoate
CID 14832792
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

Frequently Asked Questions

What is the IUPAC name of (4,5-dihydroxy-8-tricyclo[5.2.1.02,6]decanyl) 2-methylprop-2-enoate?
The IUPAC name of (4,5-dihydroxy-8-tricyclo[5.2.1.02,6]decanyl) 2-methylprop-2-enoate (CID 22889405) is (4,5-dihydroxy-8-tricyclo[5.2.1.02,6]decanyl) 2-methylprop-2-enoate.
What is the SMILES notation for (4,5-dihydroxy-8-tricyclo[5.2.1.02,6]decanyl) 2-methylprop-2-enoate?
The canonical SMILES for (4,5-dihydroxy-8-tricyclo[5.2.1.02,6]decanyl) 2-methylprop-2-enoate is C=C(C)C(=O)OC1CC2CC1C1C(O)C(O)CC21.
What is the InChIKey of (4,5-dihydroxy-8-tricyclo[5.2.1.02,6]decanyl) 2-methylprop-2-enoate?
The InChIKey is MTJUSDMMCDSVTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O4/c1-6(2)14(17)18-11-4-7-3-9(11)12-8(7)5-10(15)13(12)16/h7-13,15-16H,1,3-5H2,2H3.
What are the key properties of (4,5-dihydroxy-8-tricyclo[5.2.1.02,6]decanyl) 2-methylprop-2-enoate?
(4,5-dihydroxy-8-tricyclo[5.2.1.02,6]decanyl) 2-methylprop-2-enoate has a molecular weight of 252.31 g/mol, XLogP of 0.87, 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) 2-methylprop-2-enoate is sourced from PubChem (CID 22889405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).