(4S,5R)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-prop-2-enoxy-4-prop-2-enyloxolane-2,3-dione

C15H20O6 — CID 10424636

IUPAC(4S,5R)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-prop-2-enoxy-4-prop-2-enyloxolane-2,3-dione
SMILESC=CCO[C@]1(CC=C)C(=O)C(=O)O[C@@H]1[C@@H]1COC(C)(C)O1
InChIInChI=1S/C15H20O6/c1-5-7-15(18-8-6-2)11(16)13(17)20-12(15)10-9-19-14(3,4)21-10/h5-6,10,12H,1-2,7-9H2,3-4H3/t10-,12+,15+/m0/s1
InChIKeyNDVPZBSZQZALOE-JVLSTEMRSA-N
MW296.32 g/mol
LogP1.15
Rot. Bonds6

About (4S,5R)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-prop-2-enoxy-4-prop-2-enyloxolane-2,3-dione

(4S,5R)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-prop-2-enoxy-4-prop-2-enyloxolane-2,3-dione (PubChem CID 10424636) has the molecular formula C15H20O6 and a molecular weight of 296.32 g/mol. Its IUPAC name is (4S,5R)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-prop-2-enoxy-4-prop-2-enyloxolane-2,3-dione.

Molecular Properties

Compound Name(4S,5R)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-prop-2-enoxy-4-prop-2-enyloxolane-2,3-dione
PubChem CID10424636
Molecular FormulaC15H20O6
Molecular Weight296.32 g/mol
Exact Mass296.13
IUPAC Name(4S,5R)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-prop-2-enoxy-4-prop-2-enyloxolane-2,3-dione
SMILESC=CCO[C@]1(CC=C)C(=O)C(=O)O[C@@H]1[C@@H]1COC(C)(C)O1
InChIInChI=1S/C15H20O6/c1-5-7-15(18-8-6-2)11(16)13(17)20-12(15)10-9-19-14(3,4)21-10/h5-6,10,12H,1-2,7-9H2,3-4H3/t10-,12+,15+/m0/s1
InChIKeyNDVPZBSZQZALOE-JVLSTEMRSA-N
XLogP1.15
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.32
LogP ≤ 51.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze (4S,5R)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-prop-2-enoxy-4-prop-2-enyloxolane-2,3-dione with MolForge

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Related Compounds

(3'aR,5R,7'aS)-2,2,2',2'-tetramethylspiro[1,3-dioxolane-5,5'-4,7a-dihydro-3aH-1,3-benzodioxole]-4-one
CID 46230253
3-Allyl-3-allyloxy-3a,6-dihydroxy-tetrahydro-furo[3,2-b]furan-2-one
CID 387131
(4R,4aS,7R,7aR)-7-methoxy-2,2-dimethyl-4-vinyltetrahydro-6H-furo[3,2-d][1,3]dioxin-6-one
CID 49871274
(4S)-5-(2,2-dimethyl-1,3-dioxolan-4-yl)-4-prop-2-enoxy-4-prop-2-enyloxolane-2,3-dione
CID 386049
[(3S)-2-(2,2-dimethyl-1,3-dioxolan-4-yl)-4,5-dioxo-3-prop-2-enyloxolan-3-yl] acetate
CID 386051
[3-Allyl-2-(2,2-dimethyl-1,3-dioxolan-4-yl)-4,5-dioxo-tetrahydrofuran-3-yl] acetate
CID 496054
(5R)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-prop-2-enoxyoxolane-2,4-dione
CID 91422062
Kgjkwslujdecns-vhskpijisa-
CID 11241311
ethyl 3-[(4R,5S)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]-3-oxopropanoate
CID 11447866
ethyl 3-[(4S,5S)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]-3-oxopropanoate
CID 11470532
(4R,4aS,7R,7aR)-7-ethoxy-2,2-dimethyl-4-vinyltetrahydro-6H-furo[3,2-d][1,3]dioxin-6-one
CID 57617734
(4R,7R)-4-ethenyl-7-methoxy-2,2-dimethyl-4,4a,7,7a-tetrahydrofuro[3,2-d][1,3]dioxin-6-one
CID 57617749

Frequently Asked Questions

What is the IUPAC name of (4S,5R)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-prop-2-enoxy-4-prop-2-enyloxolane-2,3-dione?
The IUPAC name of (4S,5R)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-prop-2-enoxy-4-prop-2-enyloxolane-2,3-dione (CID 10424636) is (4S,5R)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-prop-2-enoxy-4-prop-2-enyloxolane-2,3-dione.
What is the SMILES notation for (4S,5R)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-prop-2-enoxy-4-prop-2-enyloxolane-2,3-dione?
The canonical SMILES for (4S,5R)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-prop-2-enoxy-4-prop-2-enyloxolane-2,3-dione is C=CCO[C@]1(CC=C)C(=O)C(=O)O[C@@H]1[C@@H]1COC(C)(C)O1.
What is the InChIKey of (4S,5R)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-prop-2-enoxy-4-prop-2-enyloxolane-2,3-dione?
The InChIKey is NDVPZBSZQZALOE-JVLSTEMRSA-N. The full InChI is InChI=1S/C15H20O6/c1-5-7-15(18-8-6-2)11(16)13(17)20-12(15)10-9-19-14(3,4)21-10/h5-6,10,12H,1-2,7-9H2,3-4H3/t10-,12+,15+/m0/s1.
What are the key properties of (4S,5R)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-prop-2-enoxy-4-prop-2-enyloxolane-2,3-dione?
(4S,5R)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-prop-2-enoxy-4-prop-2-enyloxolane-2,3-dione has a molecular weight of 296.32 g/mol, XLogP of 1.15, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5R)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-prop-2-enoxy-4-prop-2-enyloxolane-2,3-dione is sourced from PubChem (CID 10424636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).