(4-methyl-4-tricyclo[6.2.1.02,7]undecanyl) 2-methylprop-2-enoate

C16H24O2 — CID 22898232

IUPAC(4-methyl-4-tricyclo[6.2.1.02,7]undecanyl) 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC1(C)CCC2C3CCC(C3)C2C1
InChIInChI=1S/C16H24O2/c1-10(2)15(17)18-16(3)7-6-13-11-4-5-12(8-11)14(13)9-16/h11-14H,1,4-9H2,2-3H3
InChIKeyFXONHJXIZZAINI-UHFFFAOYSA-N
MW248.37 g/mol
LogP3.71
Rot. Bonds2

About (4-methyl-4-tricyclo[6.2.1.02,7]undecanyl) 2-methylprop-2-enoate

(4-methyl-4-tricyclo[6.2.1.02,7]undecanyl) 2-methylprop-2-enoate (PubChem CID 22898232) has the molecular formula C16H24O2 and a molecular weight of 248.37 g/mol. Its IUPAC name is (4-methyl-4-tricyclo[6.2.1.02,7]undecanyl) 2-methylprop-2-enoate.

Molecular Properties

Compound Name(4-methyl-4-tricyclo[6.2.1.02,7]undecanyl) 2-methylprop-2-enoate
PubChem CID22898232
Molecular FormulaC16H24O2
Molecular Weight248.37 g/mol
Exact Mass248.18
IUPAC Name(4-methyl-4-tricyclo[6.2.1.02,7]undecanyl) 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC1(C)CCC2C3CCC(C3)C2C1
InChIInChI=1S/C16H24O2/c1-10(2)15(17)18-16(3)7-6-13-11-4-5-12(8-11)14(13)9-16/h11-14H,1,4-9H2,2-3H3
InChIKeyFXONHJXIZZAINI-UHFFFAOYSA-N
XLogP3.71
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[(1R,3R,4S)-3-hydroxy-1-methyl-4-propan-2-ylcyclohexyl] 2-methylprop-2-enoate
CID 174537266
1-tricyclo[3.2.1.03,6]octanyl 2-methylprop-2-enoate
CID 139921218
[4-(2-methoxyethoxy)-1-methylcyclohexyl] 2-methylprop-2-enoate
CID 135225189
(8-iodo-8-tricyclo[5.2.1.02,6]decanyl) 2-methylprop-2-enoate
CID 66596120
(1,2,3-trimethyl-2-bicyclo[2.2.1]heptanyl) 2-methylprop-2-enoate
CID 174204067
(1,2-dimethyl-2-bicyclo[2.2.1]heptanyl) 2-methylprop-2-enoate
CID 20820775
(2,2-dimethyl-3-methylidene-1-bicyclo[2.2.1]heptanyl) 2-methylprop-2-enoate
CID 140650831
(1,2,2,3-tetramethylcyclopentyl) 2-methylprop-2-enoate
CID 164546927
2-[[4,10-dimethyl-10-[2-(2-methylprop-2-enoyloxy)ethylcarbamoyloxymethyl]-4-tricyclo[6.3.1.02,7]dodecanyl]methoxycarbonylamino]ethyl 2-methylprop-2-enoate
CID 123650160
(4-prop-1-en-2-yl-4-tricyclo[5.2.1.02,6]decanyl) piperidine-1-carboxylate
CID 170530264
[(1R,2R,4R)-2-hydroxy-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl] 2-methylprop-2-enoate
CID 141031450
(1,2-dicyclohexylcyclohexyl) 2-methylprop-2-enoate
CID 122533391

Frequently Asked Questions

What is the IUPAC name of (4-methyl-4-tricyclo[6.2.1.02,7]undecanyl) 2-methylprop-2-enoate?
The IUPAC name of (4-methyl-4-tricyclo[6.2.1.02,7]undecanyl) 2-methylprop-2-enoate (CID 22898232) is (4-methyl-4-tricyclo[6.2.1.02,7]undecanyl) 2-methylprop-2-enoate.
What is the SMILES notation for (4-methyl-4-tricyclo[6.2.1.02,7]undecanyl) 2-methylprop-2-enoate?
The canonical SMILES for (4-methyl-4-tricyclo[6.2.1.02,7]undecanyl) 2-methylprop-2-enoate is C=C(C)C(=O)OC1(C)CCC2C3CCC(C3)C2C1.
What is the InChIKey of (4-methyl-4-tricyclo[6.2.1.02,7]undecanyl) 2-methylprop-2-enoate?
The InChIKey is FXONHJXIZZAINI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24O2/c1-10(2)15(17)18-16(3)7-6-13-11-4-5-12(8-11)14(13)9-16/h11-14H,1,4-9H2,2-3H3.
What are the key properties of (4-methyl-4-tricyclo[6.2.1.02,7]undecanyl) 2-methylprop-2-enoate?
(4-methyl-4-tricyclo[6.2.1.02,7]undecanyl) 2-methylprop-2-enoate has a molecular weight of 248.37 g/mol, XLogP of 3.71, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methyl-4-tricyclo[6.2.1.02,7]undecanyl) 2-methylprop-2-enoate is sourced from PubChem (CID 22898232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).