[(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

C18H26O8 — CID 59866804

IUPAC[(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
SMILESC=CC(=O)OC[C@@H]1OC(C)(C)O[C@H]1[C@H]1OC(C)(C)O[C@@H]1COC(=O)C=C
InChIInChI=1S/C18H26O8/c1-7-13(19)21-9-11-15(25-17(3,4)23-11)16-12(10-22-14(20)8-2)24-18(5,6)26-16/h7-8,11-12,15-16H,1-2,9-10H2,3-6H3/t11-,12+,15+,16-
InChIKeyFAICCTUMMDWPIL-CRJCFHLZSA-N
MW370.40 g/mol
LogP1.49
Rot. Bonds7

About [(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

[(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 (PubChem CID 59866804) has the molecular formula C18H26O8 and a molecular weight of 370.40 g/mol. Its IUPAC name is [(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.

Molecular Properties

Compound Name[(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
PubChem CID59866804
Molecular FormulaC18H26O8
Molecular Weight370.40 g/mol
Exact Mass370.16
IUPAC Name[(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
SMILESC=CC(=O)OC[C@@H]1OC(C)(C)O[C@H]1[C@H]1OC(C)(C)O[C@@H]1COC(=O)C=C
InChIInChI=1S/C18H26O8/c1-7-13(19)21-9-11-15(25-17(3,4)23-11)16-12(10-22-14(20)8-2)24-18(5,6)26-16/h7-8,11-12,15-16H,1-2,9-10H2,3-6H3/t11-,12+,15+,16-
InChIKeyFAICCTUMMDWPIL-CRJCFHLZSA-N
XLogP1.49
TPSA89.52 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.40
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze [(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 with MolForge

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Related Compounds

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[(1R,2R)-1,2-bis[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-[(E)-4,4,4-trifluorobut-2-enoyl]oxyethyl] (E)-4,4,4-trifluorobut-2-enoate
CID 10458850
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CID 21790374
(4R)-4-[(1R,2R)-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-1,2-bis(prop-2-enoxy)ethyl]-2,2-dimethyl-1,3-dioxolane
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[5-(2,2-Dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl] prop-2-enoate
CID 13066277
[6-(2,2-Dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl] prop-2-enoate
CID 13844124

Frequently Asked Questions

What is the IUPAC name of [(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?
The IUPAC name of [(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) is [(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.
What is the SMILES notation for [(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?
The canonical SMILES for [(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 is C=CC(=O)OC[C@@H]1OC(C)(C)O[C@H]1[C@H]1OC(C)(C)O[C@@H]1COC(=O)C=C.
What is the InChIKey of [(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?
The InChIKey is FAICCTUMMDWPIL-CRJCFHLZSA-N. The full InChI is InChI=1S/C18H26O8/c1-7-13(19)21-9-11-15(25-17(3,4)23-11)16-12(10-22-14(20)8-2)24-18(5,6)26-16/h7-8,11-12,15-16H,1-2,9-10H2,3-6H3/t11-,12+,15+,16-.
What are the key properties of [(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?
[(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 has a molecular weight of 370.40 g/mol, XLogP of 1.49, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [(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 is sourced from PubChem (CID 59866804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).