(1-methyl-8-prop-2-enoyloxy-4-tricyclo[5.2.1.02,6]decanyl) prop-2-enoate

C17H22O4 — CID 90988559

IUPAC(1-methyl-8-prop-2-enoyloxy-4-tricyclo[5.2.1.02,6]decanyl) prop-2-enoate
SMILESC=CC(=O)OC1CC2C3CC(C)(CC3OC(=O)C=C)C2C1
InChIInChI=1S/C17H22O4/c1-4-15(18)20-10-6-11-12-8-17(3,13(11)7-10)9-14(12)21-16(19)5-2/h4-5,10-14H,1-2,6-9H2,3H3
InChIKeyCLDSVCWWMLHYJG-UHFFFAOYSA-N
MW290.36 g/mol
LogP2.64
Rot. Bonds4

About (1-methyl-8-prop-2-enoyloxy-4-tricyclo[5.2.1.02,6]decanyl) prop-2-enoate

(1-methyl-8-prop-2-enoyloxy-4-tricyclo[5.2.1.02,6]decanyl) prop-2-enoate (PubChem CID 90988559) has the molecular formula C17H22O4 and a molecular weight of 290.36 g/mol. Its IUPAC name is (1-methyl-8-prop-2-enoyloxy-4-tricyclo[5.2.1.02,6]decanyl) prop-2-enoate.

Molecular Properties

Compound Name(1-methyl-8-prop-2-enoyloxy-4-tricyclo[5.2.1.02,6]decanyl) prop-2-enoate
PubChem CID90988559
Molecular FormulaC17H22O4
Molecular Weight290.36 g/mol
Exact Mass290.15
IUPAC Name(1-methyl-8-prop-2-enoyloxy-4-tricyclo[5.2.1.02,6]decanyl) prop-2-enoate
SMILESC=CC(=O)OC1CC2C3CC(C)(CC3OC(=O)C=C)C2C1
InChIInChI=1S/C17H22O4/c1-4-15(18)20-10-6-11-12-8-17(3,13(11)7-10)9-14(12)21-16(19)5-2/h4-5,10-14H,1-2,6-9H2,3H3
InChIKeyCLDSVCWWMLHYJG-UHFFFAOYSA-N
XLogP2.64
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (1-methyl-8-prop-2-enoyloxy-4-tricyclo[5.2.1.02,6]decanyl) prop-2-enoate with MolForge

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Related Compounds

(2,2,6-trimethylpiperidin-4-yl) prop-2-enoate
CID 144639404
(1,2,2,6,6-pentamethylpiperidin-4-yl) prop-2-enoate;(2,2,6,6-tetramethylpiperidin-4-yl) prop-2-enoate
CID 70486948
(1-ethoxy-8-tricyclo[5.2.1.02,6]decanyl) prop-2-enoate
CID 155757011
CID 159294157
CID 159294157
(1-methyl-5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl) prop-2-enoate
CID 58165583
methyl 3-(2,2,6,6-tetramethyl-4-prop-2-enoyloxypiperidin-1-yl)prop-2-enoate
CID 54179873
(2,2,6,6-tetramethyl-1-propoxypiperidin-4-yl) prop-2-enoate
CID 141336457
(4-butyl-3,3-dimethylcyclopentyl) prop-2-enoate
CID 129100429
(3-ethyl-5-methylcyclohexyl) prop-2-enoate
CID 89367928
(12-methyl-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl) prop-2-enoate
CID 59060410
(9-methoxy-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl) prop-2-enoate
CID 20727718
(5-methyl-4-tricyclo[5.3.1.13,9]dodecanyl) prop-2-enoate
CID 130312887

Frequently Asked Questions

What is the IUPAC name of (1-methyl-8-prop-2-enoyloxy-4-tricyclo[5.2.1.02,6]decanyl) prop-2-enoate?
The IUPAC name of (1-methyl-8-prop-2-enoyloxy-4-tricyclo[5.2.1.02,6]decanyl) prop-2-enoate (CID 90988559) is (1-methyl-8-prop-2-enoyloxy-4-tricyclo[5.2.1.02,6]decanyl) prop-2-enoate.
What is the SMILES notation for (1-methyl-8-prop-2-enoyloxy-4-tricyclo[5.2.1.02,6]decanyl) prop-2-enoate?
The canonical SMILES for (1-methyl-8-prop-2-enoyloxy-4-tricyclo[5.2.1.02,6]decanyl) prop-2-enoate is C=CC(=O)OC1CC2C3CC(C)(CC3OC(=O)C=C)C2C1.
What is the InChIKey of (1-methyl-8-prop-2-enoyloxy-4-tricyclo[5.2.1.02,6]decanyl) prop-2-enoate?
The InChIKey is CLDSVCWWMLHYJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22O4/c1-4-15(18)20-10-6-11-12-8-17(3,13(11)7-10)9-14(12)21-16(19)5-2/h4-5,10-14H,1-2,6-9H2,3H3.
What are the key properties of (1-methyl-8-prop-2-enoyloxy-4-tricyclo[5.2.1.02,6]decanyl) prop-2-enoate?
(1-methyl-8-prop-2-enoyloxy-4-tricyclo[5.2.1.02,6]decanyl) prop-2-enoate has a molecular weight of 290.36 g/mol, XLogP of 2.64, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methyl-8-prop-2-enoyloxy-4-tricyclo[5.2.1.02,6]decanyl) prop-2-enoate is sourced from PubChem (CID 90988559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).