methyl 2-[(R)-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-[(4R,5R)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]prop-2-enoate

C17H26O7 — CID 11461997

IUPACmethyl 2-[(R)-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-[(4R,5R)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]prop-2-enoate
SMILESC=C[C@H]1OC(C)(C)O[C@H]1[C@H](OC(=C)C(=O)OC)[C@H]1COC(C)(C)O1
InChIInChI=1S/C17H26O7/c1-8-11-14(24-17(5,6)22-11)13(21-10(2)15(18)19-7)12-9-20-16(3,4)23-12/h8,11-14H,1-2,9H2,3-7H3/t11-,12-,13-,14-/m1/s1
InChIKeyHYTIWPMAJDXOHM-AAVRWANBSA-N
MW342.39 g/mol
LogP1.92
Rot. Bonds6

About methyl 2-[(R)-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-[(4R,5R)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]prop-2-enoate

methyl 2-[(R)-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-[(4R,5R)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]prop-2-enoate (PubChem CID 11461997) has the molecular formula C17H26O7 and a molecular weight of 342.39 g/mol. Its IUPAC name is methyl 2-[(R)-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-[(4R,5R)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]prop-2-enoate.

Molecular Properties

Compound Namemethyl 2-[(R)-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-[(4R,5R)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]prop-2-enoate
PubChem CID11461997
Molecular FormulaC17H26O7
Molecular Weight342.39 g/mol
Exact Mass342.17
IUPAC Namemethyl 2-[(R)-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-[(4R,5R)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]prop-2-enoate
SMILESC=C[C@H]1OC(C)(C)O[C@H]1[C@H](OC(=C)C(=O)OC)[C@H]1COC(C)(C)O1
InChIInChI=1S/C17H26O7/c1-8-11-14(24-17(5,6)22-11)13(21-10(2)15(18)19-7)12-9-20-16(3,4)23-12/h8,11-14H,1-2,9H2,3-7H3/t11-,12-,13-,14-/m1/s1
InChIKeyHYTIWPMAJDXOHM-AAVRWANBSA-N
XLogP1.92
TPSA72.45 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.39
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze methyl 2-[(R)-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-[(4R,5R)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]prop-2-enoate with MolForge

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Related Compounds

ethyl (E)-3-[(4S,5S)-5-[(4R)-2,2-dimethyl-1,3-dioxolane-4-carbonyl]-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-enoate
CID 101472097
ethyl (Z)-3-[(4S,5S)-5-[(4R)-2,2-dimethyl-1,3-dioxolane-4-carbonyl]-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-enoate
CID 101472098
[(4S,5R)-5-[(4S,5R)-2,2-dimethyl-5-(prop-2-enoyloxymethyl)-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]methyl prop-2-enoate
CID 59866804
[2-[[5-(2,2-Dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]-2-oxoethyl] prop-2-enoate
CID 68083552
[2-[Bis(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]-2-oxoethyl] prop-2-enoate
CID 68098765
ethyl (E)-2-acetyloxy-3-[(4R,5R)-5-[(R)-acetyloxy-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-enoate
CID 11037384
[(R)-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-[(4R,5R)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]methyl] acetate
CID 11098607
[(1R)-1-[(4R,5S)-5-[(4R,5S)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-enyl] acetate
CID 11110197
methyl (3aR,4R,7aR)-4-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-4,7a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyran-6-carboxylate
CID 11381450
[(1R)-1-[(4R,5R)-5-[(4R,5S)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]but-3-enyl] acetate
CID 11727541
methyl 2-[(R)-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-[(4S,5R)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]prop-2-enoate
CID 12112812
[(R)-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-[(4R,5R)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]methyl] 2,2-dimethylpropanoate
CID 14885357

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(R)-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-[(4R,5R)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]prop-2-enoate?
The IUPAC name of methyl 2-[(R)-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-[(4R,5R)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]prop-2-enoate (CID 11461997) is methyl 2-[(R)-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-[(4R,5R)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]prop-2-enoate.
What is the SMILES notation for methyl 2-[(R)-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-[(4R,5R)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]prop-2-enoate?
The canonical SMILES for methyl 2-[(R)-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-[(4R,5R)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]prop-2-enoate is C=C[C@H]1OC(C)(C)O[C@H]1[C@H](OC(=C)C(=O)OC)[C@H]1COC(C)(C)O1.
What is the InChIKey of methyl 2-[(R)-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-[(4R,5R)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]prop-2-enoate?
The InChIKey is HYTIWPMAJDXOHM-AAVRWANBSA-N. The full InChI is InChI=1S/C17H26O7/c1-8-11-14(24-17(5,6)22-11)13(21-10(2)15(18)19-7)12-9-20-16(3,4)23-12/h8,11-14H,1-2,9H2,3-7H3/t11-,12-,13-,14-/m1/s1.
What are the key properties of methyl 2-[(R)-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-[(4R,5R)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]prop-2-enoate?
methyl 2-[(R)-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-[(4R,5R)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]prop-2-enoate has a molecular weight of 342.39 g/mol, XLogP of 1.92, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(R)-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-[(4R,5R)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]prop-2-enoate is sourced from PubChem (CID 11461997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).