methyl (2E)-2-[(2R,5R)-2,5-dipropyl-1,3-dioxolan-4-ylidene]acetate

C12H20O4 — CID 11345205

IUPACmethyl (2E)-2-[(2R,5R)-2,5-dipropyl-1,3-dioxolan-4-ylidene]acetate
SMILESCCC[C@H]1O/C(=C/C(=O)OC)[C@@H](CCC)O1
InChIInChI=1S/C12H20O4/c1-4-6-9-10(8-11(13)14-3)16-12(15-9)7-5-2/h8-9,12H,4-7H2,1-3H3/b10-8+/t9-,12-/m1/s1
InChIKeyNDXXOJPVNZBTGC-RYOSABAWSA-N
MW228.29 g/mol
LogP2.38
Rot. Bonds5

About methyl (2E)-2-[(2R,5R)-2,5-dipropyl-1,3-dioxolan-4-ylidene]acetate

methyl (2E)-2-[(2R,5R)-2,5-dipropyl-1,3-dioxolan-4-ylidene]acetate (PubChem CID 11345205) has the molecular formula C12H20O4 and a molecular weight of 228.29 g/mol. Its IUPAC name is methyl (2E)-2-[(2R,5R)-2,5-dipropyl-1,3-dioxolan-4-ylidene]acetate.

Molecular Properties

Compound Namemethyl (2E)-2-[(2R,5R)-2,5-dipropyl-1,3-dioxolan-4-ylidene]acetate
PubChem CID11345205
Molecular FormulaC12H20O4
Molecular Weight228.29 g/mol
Exact Mass228.14
IUPAC Namemethyl (2E)-2-[(2R,5R)-2,5-dipropyl-1,3-dioxolan-4-ylidene]acetate
SMILESCCC[C@H]1O/C(=C/C(=O)OC)[C@@H](CCC)O1
InChIInChI=1S/C12H20O4/c1-4-6-9-10(8-11(13)14-3)16-12(15-9)7-5-2/h8-9,12H,4-7H2,1-3H3/b10-8+/t9-,12-/m1/s1
InChIKeyNDXXOJPVNZBTGC-RYOSABAWSA-N
XLogP2.38
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 52.38
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

ethyl (E)-4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]but-2-enoate
CID 11458548
2,2-Bis[(cyclopent-1-en-1-yl)oxy]ethyl prop-2-enoate
CID 21881314
[(E)-6-(2-methyl-1,3-dioxolan-2-yl)hex-5-enyl] acetate
CID 58918258
ethyl (2E)-2-(1,4-dioxaspiro[4.4]nonan-9-ylidene)acetate
CID 5387033
ethyl (E)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]pent-2-enoate
CID 12066275
ethyl (E)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]pent-2-enoate
CID 121016048
(2E)-5-(1,3-Dioxolan-2-YL)-3-methyl-2-pentenyl acetate
CID 10262675
ethyl (E)-4-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]but-2-enoate
CID 11736033
5-(Dimethoxymethyl)-4-methoxyfuran-2(5H)-one
CID 12886054
methyl (E)-3-[2-[(3S)-3-acetyloxybutyl]-1,3-dioxolan-2-yl]prop-2-enoate
CID 15297896
methyl (2Z,6Z)-9-(1,3-dioxolan-2-yl)-3,7-dimethylnona-2,6-dienoate
CID 52920533
methyl (2Z)-2-(2,5-dipropyl-1,3-dioxolan-4-ylidene)acetate
CID 101153857

Frequently Asked Questions

What is the IUPAC name of methyl (2E)-2-[(2R,5R)-2,5-dipropyl-1,3-dioxolan-4-ylidene]acetate?
The IUPAC name of methyl (2E)-2-[(2R,5R)-2,5-dipropyl-1,3-dioxolan-4-ylidene]acetate (CID 11345205) is methyl (2E)-2-[(2R,5R)-2,5-dipropyl-1,3-dioxolan-4-ylidene]acetate.
What is the SMILES notation for methyl (2E)-2-[(2R,5R)-2,5-dipropyl-1,3-dioxolan-4-ylidene]acetate?
The canonical SMILES for methyl (2E)-2-[(2R,5R)-2,5-dipropyl-1,3-dioxolan-4-ylidene]acetate is CCC[C@H]1O/C(=C/C(=O)OC)[C@@H](CCC)O1.
What is the InChIKey of methyl (2E)-2-[(2R,5R)-2,5-dipropyl-1,3-dioxolan-4-ylidene]acetate?
The InChIKey is NDXXOJPVNZBTGC-RYOSABAWSA-N. The full InChI is InChI=1S/C12H20O4/c1-4-6-9-10(8-11(13)14-3)16-12(15-9)7-5-2/h8-9,12H,4-7H2,1-3H3/b10-8+/t9-,12-/m1/s1.
What are the key properties of methyl (2E)-2-[(2R,5R)-2,5-dipropyl-1,3-dioxolan-4-ylidene]acetate?
methyl (2E)-2-[(2R,5R)-2,5-dipropyl-1,3-dioxolan-4-ylidene]acetate has a molecular weight of 228.29 g/mol, XLogP of 2.38, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2E)-2-[(2R,5R)-2,5-dipropyl-1,3-dioxolan-4-ylidene]acetate is sourced from PubChem (CID 11345205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).