(8-methyl-8-tricyclo[5.2.1.02,6]decanyl) 2-(acetyloxymethyl)prop-2-enoate

C17H24O4 — CID 58757986

IUPAC(8-methyl-8-tricyclo[5.2.1.02,6]decanyl) 2-(acetyloxymethyl)prop-2-enoate
SMILESC=C(COC(C)=O)C(=O)OC1(C)CC2CC1C1CCCC21
InChIInChI=1S/C17H24O4/c1-10(9-20-11(2)18)16(19)21-17(3)8-12-7-15(17)14-6-4-5-13(12)14/h12-15H,1,4-9H2,2-3H3
InChIKeyHUYDWIMTXUYJAA-UHFFFAOYSA-N
MW292.37 g/mol
LogP2.86
Rot. Bonds4

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

(8-methyl-8-tricyclo[5.2.1.02,6]decanyl) 2-(acetyloxymethyl)prop-2-enoate (PubChem CID 58757986) has the molecular formula C17H24O4 and a molecular weight of 292.37 g/mol. Its IUPAC name is (8-methyl-8-tricyclo[5.2.1.02,6]decanyl) 2-(acetyloxymethyl)prop-2-enoate.

Molecular Properties

Compound Name(8-methyl-8-tricyclo[5.2.1.02,6]decanyl) 2-(acetyloxymethyl)prop-2-enoate
PubChem CID58757986
Molecular FormulaC17H24O4
Molecular Weight292.37 g/mol
Exact Mass292.17
IUPAC Name(8-methyl-8-tricyclo[5.2.1.02,6]decanyl) 2-(acetyloxymethyl)prop-2-enoate
SMILESC=C(COC(C)=O)C(=O)OC1(C)CC2CC1C1CCCC21
InChIInChI=1S/C17H24O4/c1-10(9-20-11(2)18)16(19)21-17(3)8-12-7-15(17)14-6-4-5-13(12)14/h12-15H,1,4-9H2,2-3H3
InChIKeyHUYDWIMTXUYJAA-UHFFFAOYSA-N
XLogP2.86
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.37
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

8-methoxy-8-methyltricyclo[5.2.1.02,6]decane;2-methylprop-2-enal
CID 145027666
(1-methylcyclodecyl) 2-(acetyloxymethyl)prop-2-enoate
CID 58757971
(8-methyl-8-tricyclo[5.2.1.02,6]decanyl) (2S)-2-tert-butyl-4,4-dimethylpentanoate
CID 70997730
(8-iodo-8-tricyclo[5.2.1.02,6]decanyl) 2-methylprop-2-enoate
CID 66596120
(4-cyano-8-methyl-8-tricyclo[5.2.1.02,6]decanyl) 2-methylprop-2-enoate
CID 22898229
1-(8-ethyl-8-tricyclo[5.2.1.02,6]decanyl)-3-methylbut-3-en-2-one
CID 21045004
(8-ethyl-8-tricyclo[5.2.1.02,6]decanyl) 2-(trifluoromethyl)prop-2-enoate
CID 58823592
(1R,2S,6R,7S,8S)-8-methyltricyclo[5.2.1.02,6]decan-8-ol
CID 124836591
(4-ethyl-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl) 2,2-dimethylbutanoate;(8-ethyl-8-tricyclo[5.2.1.02,6]decanyl) 2,2-dimethylbutanoate;(4-methyl-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl) 2,2-dimethylbutanoate;(8-methyl-8-tricyclo[5.2.1.02,6]decanyl) 2,2-dimethylbutanoate
CID 90805182
(2-ethyl-2-bicyclo[2.2.1]heptanyl) 2-methylprop-2-enoate;(4-ethyl-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl) 2-methylprop-2-enoate;(1-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-naphthalen-1-yl) 2-methylprop-2-enoate;(2-methyl-2-bicyclo[2.2.1]heptanyl) 2-methylprop-2-enoate;(4-methyl-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl) 2-methylprop-2-enoate;(8-methyl-8-tricyclo[5.2.1.02,6]decanyl) 2-methylprop-2-enoate
CID 159291248
(2-ethyl-2-bicyclo[2.2.1]heptanyl) 2-methylprop-2-enoate;(2-ethyl-2-bicyclo[2.2.1]heptanyl) prop-2-enoate;(8-ethyl-8-tricyclo[5.2.1.02,6]decanyl) 2-methylprop-2-enoate;(8-ethyl-8-tricyclo[5.2.1.02,6]decanyl) prop-2-enoate;(8-methyl-8-tricyclo[5.2.1.02,6]decanyl) 2-methylprop-2-enoate;(2-propan-2-yl-2-bicyclo[2.2.1]heptanyl) 2-methylprop-2-enoate;(8-propan-2-yl-8-tricyclo[5.2.1.02,6]decanyl) 2-methylprop-2-enoate
CID 158864714
(1R,2R,6S,7R,8S)-8-aminotricyclo[5.2.1.02,6]decane-8-carboxylic acid
CID 98107604

Frequently Asked Questions

What is the IUPAC name of (8-methyl-8-tricyclo[5.2.1.02,6]decanyl) 2-(acetyloxymethyl)prop-2-enoate?
The IUPAC name of (8-methyl-8-tricyclo[5.2.1.02,6]decanyl) 2-(acetyloxymethyl)prop-2-enoate (CID 58757986) is (8-methyl-8-tricyclo[5.2.1.02,6]decanyl) 2-(acetyloxymethyl)prop-2-enoate.
What is the SMILES notation for (8-methyl-8-tricyclo[5.2.1.02,6]decanyl) 2-(acetyloxymethyl)prop-2-enoate?
The canonical SMILES for (8-methyl-8-tricyclo[5.2.1.02,6]decanyl) 2-(acetyloxymethyl)prop-2-enoate is C=C(COC(C)=O)C(=O)OC1(C)CC2CC1C1CCCC21.
What is the InChIKey of (8-methyl-8-tricyclo[5.2.1.02,6]decanyl) 2-(acetyloxymethyl)prop-2-enoate?
The InChIKey is HUYDWIMTXUYJAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24O4/c1-10(9-20-11(2)18)16(19)21-17(3)8-12-7-15(17)14-6-4-5-13(12)14/h12-15H,1,4-9H2,2-3H3.
What are the key properties of (8-methyl-8-tricyclo[5.2.1.02,6]decanyl) 2-(acetyloxymethyl)prop-2-enoate?
(8-methyl-8-tricyclo[5.2.1.02,6]decanyl) 2-(acetyloxymethyl)prop-2-enoate has a molecular weight of 292.37 g/mol, XLogP of 2.86, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (8-methyl-8-tricyclo[5.2.1.02,6]decanyl) 2-(acetyloxymethyl)prop-2-enoate is sourced from PubChem (CID 58757986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).