methyl (1R,2R,3S,10S)-3-ethenyl-1-methoxy-4,4-dimethyl-5,9-dioxatricyclo[4.3.1.03,10]decane-2-carboxylate

C15H22O5 — CID 10333965

IUPACmethyl (1R,2R,3S,10S)-3-ethenyl-1-methoxy-4,4-dimethyl-5,9-dioxatricyclo[4.3.1.03,10]decane-2-carboxylate
SMILESC=C[C@]12[C@@H](C(=O)OC)[C@]3(OC)OCCC(OC1(C)C)[C@@H]32
InChIInChI=1S/C15H22O5/c1-6-14-10-9(20-13(14,2)3)7-8-19-15(10,18-5)11(14)12(16)17-4/h6,9-11H,1,7-8H2,2-5H3/t9?,10-,11-,14+,15-/m1/s1
InChIKeyRGMKOVRBVVXBDN-JKFAUFDESA-N
MW282.34 g/mol
LogP1.52
Rot. Bonds3

About methyl (1R,2R,3S,10S)-3-ethenyl-1-methoxy-4,4-dimethyl-5,9-dioxatricyclo[4.3.1.03,10]decane-2-carboxylate

methyl (1R,2R,3S,10S)-3-ethenyl-1-methoxy-4,4-dimethyl-5,9-dioxatricyclo[4.3.1.03,10]decane-2-carboxylate (PubChem CID 10333965) has the molecular formula C15H22O5 and a molecular weight of 282.34 g/mol. Its IUPAC name is methyl (1R,2R,3S,10S)-3-ethenyl-1-methoxy-4,4-dimethyl-5,9-dioxatricyclo[4.3.1.03,10]decane-2-carboxylate.

Molecular Properties

Compound Namemethyl (1R,2R,3S,10S)-3-ethenyl-1-methoxy-4,4-dimethyl-5,9-dioxatricyclo[4.3.1.03,10]decane-2-carboxylate
PubChem CID10333965
Molecular FormulaC15H22O5
Molecular Weight282.34 g/mol
Exact Mass282.15
IUPAC Namemethyl (1R,2R,3S,10S)-3-ethenyl-1-methoxy-4,4-dimethyl-5,9-dioxatricyclo[4.3.1.03,10]decane-2-carboxylate
SMILESC=C[C@]12[C@@H](C(=O)OC)[C@]3(OC)OCCC(OC1(C)C)[C@@H]32
InChIInChI=1S/C15H22O5/c1-6-14-10-9(20-13(14,2)3)7-8-19-15(10,18-5)11(14)12(16)17-4/h6,9-11H,1,7-8H2,2-5H3/t9?,10-,11-,14+,15-/m1/s1
InChIKeyRGMKOVRBVVXBDN-JKFAUFDESA-N
XLogP1.52
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze methyl (1R,2R,3S,10S)-3-ethenyl-1-methoxy-4,4-dimethyl-5,9-dioxatricyclo[4.3.1.03,10]decane-2-carboxylate with MolForge

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Related Compounds

dimethyl 1-ethenyl-7-oxabicyclo[2.2.1]heptane-2,3-dicarboxylate
CID 102118039
trans-methyl (1S,2S)-2-ethenyl-2-methylcyclopropane-1-carboxylate
CID 10909650
methyl 2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole-4-carboxylate
CID 175959014
methyl (4S,5S)-5-[(4S,5R)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolane-4-carboxylate
CID 154706321
methyl (4R,5R)-5-[(4S,5R)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolane-4-carboxylate
CID 156595132
methyl (1R,4R,6S)-1,3,3-trimethyl-2,7-dioxabicyclo[2.2.1]heptane-6-carboxylate
CID 23270331
methyl 2,2-dimethyl-(4,5-13C2)1,3-dioxolane-4-carboxylate
CID 169439042
methyl (3S)-4,9,12-trioxadispiro[4.2.48.25]tetradecane-3-carboxylate
CID 171991435
dimethyl (6S,10S)-1,4-dioxaspiro[4.5]decane-6,10-dicarboxylate
CID 139085135
methyl (6R,7R)-2,2-dimethyl-8-oxo-3-oxa-1-azabicyclo[4.2.0]octane-7-carboxylate
CID 135057089
methyl 4-ethenyl-2-oxocyclohexane-1-carboxylate
CID 118992812
trans-methyl (2S,3R)-2-ethenyl-2,3-dimethyl-6-oxocyclohexane-1-carboxylate
CID 11651394

Frequently Asked Questions

What is the IUPAC name of methyl (1R,2R,3S,10S)-3-ethenyl-1-methoxy-4,4-dimethyl-5,9-dioxatricyclo[4.3.1.03,10]decane-2-carboxylate?
The IUPAC name of methyl (1R,2R,3S,10S)-3-ethenyl-1-methoxy-4,4-dimethyl-5,9-dioxatricyclo[4.3.1.03,10]decane-2-carboxylate (CID 10333965) is methyl (1R,2R,3S,10S)-3-ethenyl-1-methoxy-4,4-dimethyl-5,9-dioxatricyclo[4.3.1.03,10]decane-2-carboxylate.
What is the SMILES notation for methyl (1R,2R,3S,10S)-3-ethenyl-1-methoxy-4,4-dimethyl-5,9-dioxatricyclo[4.3.1.03,10]decane-2-carboxylate?
The canonical SMILES for methyl (1R,2R,3S,10S)-3-ethenyl-1-methoxy-4,4-dimethyl-5,9-dioxatricyclo[4.3.1.03,10]decane-2-carboxylate is C=C[C@]12[C@@H](C(=O)OC)[C@]3(OC)OCCC(OC1(C)C)[C@@H]32.
What is the InChIKey of methyl (1R,2R,3S,10S)-3-ethenyl-1-methoxy-4,4-dimethyl-5,9-dioxatricyclo[4.3.1.03,10]decane-2-carboxylate?
The InChIKey is RGMKOVRBVVXBDN-JKFAUFDESA-N. The full InChI is InChI=1S/C15H22O5/c1-6-14-10-9(20-13(14,2)3)7-8-19-15(10,18-5)11(14)12(16)17-4/h6,9-11H,1,7-8H2,2-5H3/t9?,10-,11-,14+,15-/m1/s1.
What are the key properties of methyl (1R,2R,3S,10S)-3-ethenyl-1-methoxy-4,4-dimethyl-5,9-dioxatricyclo[4.3.1.03,10]decane-2-carboxylate?
methyl (1R,2R,3S,10S)-3-ethenyl-1-methoxy-4,4-dimethyl-5,9-dioxatricyclo[4.3.1.03,10]decane-2-carboxylate has a molecular weight of 282.34 g/mol, XLogP of 1.52, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (1R,2R,3S,10S)-3-ethenyl-1-methoxy-4,4-dimethyl-5,9-dioxatricyclo[4.3.1.03,10]decane-2-carboxylate is sourced from PubChem (CID 10333965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).