(8-formyloxy-3-tricyclo[5.2.1.02,6]decanyl) 2-methylprop-2-enoate

C15H20O4 — CID 88926776

IUPAC(8-formyloxy-3-tricyclo[5.2.1.02,6]decanyl) 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC1CCC2C3CC(CC3OC=O)C12
InChIInChI=1S/C15H20O4/c1-8(2)15(17)19-12-4-3-10-11-5-9(14(10)12)6-13(11)18-7-16/h7,9-14H,1,3-6H2,2H3
InChIKeyBRKODCNFCGMSBE-UHFFFAOYSA-N
MW264.32 g/mol
LogP2.08
Rot. Bonds4

About (8-formyloxy-3-tricyclo[5.2.1.02,6]decanyl) 2-methylprop-2-enoate

(8-formyloxy-3-tricyclo[5.2.1.02,6]decanyl) 2-methylprop-2-enoate (PubChem CID 88926776) has the molecular formula C15H20O4 and a molecular weight of 264.32 g/mol. Its IUPAC name is (8-formyloxy-3-tricyclo[5.2.1.02,6]decanyl) 2-methylprop-2-enoate.

Molecular Properties

Compound Name(8-formyloxy-3-tricyclo[5.2.1.02,6]decanyl) 2-methylprop-2-enoate
PubChem CID88926776
Molecular FormulaC15H20O4
Molecular Weight264.32 g/mol
Exact Mass264.14
IUPAC Name(8-formyloxy-3-tricyclo[5.2.1.02,6]decanyl) 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC1CCC2C3CC(CC3OC=O)C12
InChIInChI=1S/C15H20O4/c1-8(2)15(17)19-12-4-3-10-11-5-9(14(10)12)6-13(11)18-7-16/h7,9-14H,1,3-6H2,2H3
InChIKeyBRKODCNFCGMSBE-UHFFFAOYSA-N
XLogP2.08
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(4-acetyloxy-8-tricyclo[5.2.1.02,6]decanyl) 2-methylprop-2-enoate;(8-acetyloxy-3-tricyclo[5.2.1.02,6]decanyl) 2-methylprop-2-enoate
CID 160519304
[4-(2,3-difluoro-4-formyloxycyclohexyl)-2,6-difluorocyclohexyl] 2-methylprop-2-enoate;2-methylprop-1-ene
CID 143916973
[(1S,7S,8R)-8-tricyclo[5.2.1.02,6]decanyl] 2-methylprop-2-enoate
CID 102408492
[(6R)-3-amino-8-tricyclo[5.2.1.02,6]dec-4-enyl] 2-methylprop-2-enoate
CID 118204435
[4-[2-methyl-1-[8-(2-methylprop-2-enoyloxy)-3-tricyclo[5.2.1.02,6]decanyl]propan-2-yl]cyclohexyl] 2-methylprop-2-enoate
CID 129168704
[(1R)-1,2,3,3a,4,5,5a,6,7,8,8a,8b-dodecahydroacenaphthylen-1-yl] 2-methylprop-2-enoate
CID 18448252
[9-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propyl]-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl] 2-methylprop-2-enoate
CID 89424032
(12-ethyl-4-hexacyclo[6.6.1.13,6.110,13.02,7.09,14]heptadecanyl) 2-methylprop-2-enoate
CID 58670484
(2,4-dimethylcyclohexyl) 2-methylprop-2-enoate
CID 66694520
[(1R)-1,2,3,4,4a,5,6,7,8,8a,9,9a,10,10a-tetradecahydroanthracen-1-yl] 2-methylprop-2-enoate
CID 18448264
[1-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-2-yl] 2-methylprop-2-enoate
CID 58695475
[(7S)-3-oxo-4-oxatricyclo[5.2.1.02,6]decan-8-yl] 2-methylprop-2-enoate
CID 126487493

Frequently Asked Questions

What is the IUPAC name of (8-formyloxy-3-tricyclo[5.2.1.02,6]decanyl) 2-methylprop-2-enoate?
The IUPAC name of (8-formyloxy-3-tricyclo[5.2.1.02,6]decanyl) 2-methylprop-2-enoate (CID 88926776) is (8-formyloxy-3-tricyclo[5.2.1.02,6]decanyl) 2-methylprop-2-enoate.
What is the SMILES notation for (8-formyloxy-3-tricyclo[5.2.1.02,6]decanyl) 2-methylprop-2-enoate?
The canonical SMILES for (8-formyloxy-3-tricyclo[5.2.1.02,6]decanyl) 2-methylprop-2-enoate is C=C(C)C(=O)OC1CCC2C3CC(CC3OC=O)C12.
What is the InChIKey of (8-formyloxy-3-tricyclo[5.2.1.02,6]decanyl) 2-methylprop-2-enoate?
The InChIKey is BRKODCNFCGMSBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O4/c1-8(2)15(17)19-12-4-3-10-11-5-9(14(10)12)6-13(11)18-7-16/h7,9-14H,1,3-6H2,2H3.
What are the key properties of (8-formyloxy-3-tricyclo[5.2.1.02,6]decanyl) 2-methylprop-2-enoate?
(8-formyloxy-3-tricyclo[5.2.1.02,6]decanyl) 2-methylprop-2-enoate has a molecular weight of 264.32 g/mol, XLogP of 2.08, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (8-formyloxy-3-tricyclo[5.2.1.02,6]decanyl) 2-methylprop-2-enoate is sourced from PubChem (CID 88926776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).