ethyl (2E)-2-[(5S)-5-propan-2-yl-1,3-dioxolan-4-ylidene]acetate

C10H16O4 — CID 12037490

IUPACethyl (2E)-2-[(5S)-5-propan-2-yl-1,3-dioxolan-4-ylidene]acetate
SMILESCCOC(=O)/C=C1/OCO[C@H]1C(C)C
InChIInChI=1S/C10H16O4/c1-4-12-9(11)5-8-10(7(2)3)14-6-13-8/h5,7,10H,4,6H2,1-3H3/b8-5+/t10-/m0/s1
InChIKeyKTDYTUWJLOXCJF-YVFTVSHDSA-N
MW200.23 g/mol
LogP1.46
Rot. Bonds3

About ethyl (2E)-2-[(5S)-5-propan-2-yl-1,3-dioxolan-4-ylidene]acetate

ethyl (2E)-2-[(5S)-5-propan-2-yl-1,3-dioxolan-4-ylidene]acetate (PubChem CID 12037490) has the molecular formula C10H16O4 and a molecular weight of 200.23 g/mol. Its IUPAC name is ethyl (2E)-2-[(5S)-5-propan-2-yl-1,3-dioxolan-4-ylidene]acetate.

Molecular Properties

Compound Nameethyl (2E)-2-[(5S)-5-propan-2-yl-1,3-dioxolan-4-ylidene]acetate
PubChem CID12037490
Molecular FormulaC10H16O4
Molecular Weight200.23 g/mol
Exact Mass200.10
IUPAC Nameethyl (2E)-2-[(5S)-5-propan-2-yl-1,3-dioxolan-4-ylidene]acetate
SMILESCCOC(=O)/C=C1/OCO[C@H]1C(C)C
InChIInChI=1S/C10H16O4/c1-4-12-9(11)5-8-10(7(2)3)14-6-13-8/h5,7,10H,4,6H2,1-3H3/b8-5+/t10-/m0/s1
InChIKeyKTDYTUWJLOXCJF-YVFTVSHDSA-N
XLogP1.46
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.23
LogP ≤ 51.46
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
methyl (2E)-2-[(3S,4S)-4-methoxy-3-methyloxolan-2-ylidene]acetate
CID 11286887
(3-Methoxy-5-oxo-2-prop-1-en-2-ylfuran-2-yl) acetate
CID 57000614
ethyl (E)-4-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]but-2-enoate
CID 11736033
ethyl (E,5R)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]hex-2-enoate
CID 12164129
methyl (2E)-2-[(3R,4R)-4-methoxy-3-methyloxolan-2-ylidene]acetate
CID 15923539
methyl (2Z)-2-(2,5-dipropyl-1,3-dioxolan-4-ylidene)acetate
CID 101153857
methyl (2Z)-2-[2,5-di(propan-2-yl)-1,3-dioxolan-4-ylidene]acetate
CID 101153860
methyl (2Z)-2-[2,5-bis(2-methylpropyl)-1,3-dioxolan-4-ylidene]acetate
CID 101153861
[(2R)-2-(2-methylpropyl)-5-oxo-2H-furan-3-yl] acetate
CID 102186231
methyl (Z)-3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]but-2-enoate
CID 134892652
methyl (2Z)-2-(2,5-ditert-butyl-1,3-dioxolan-4-ylidene)acetate
CID 134932020

Frequently Asked Questions

What is the IUPAC name of ethyl (2E)-2-[(5S)-5-propan-2-yl-1,3-dioxolan-4-ylidene]acetate?
The IUPAC name of ethyl (2E)-2-[(5S)-5-propan-2-yl-1,3-dioxolan-4-ylidene]acetate (CID 12037490) is ethyl (2E)-2-[(5S)-5-propan-2-yl-1,3-dioxolan-4-ylidene]acetate.
What is the SMILES notation for ethyl (2E)-2-[(5S)-5-propan-2-yl-1,3-dioxolan-4-ylidene]acetate?
The canonical SMILES for ethyl (2E)-2-[(5S)-5-propan-2-yl-1,3-dioxolan-4-ylidene]acetate is CCOC(=O)/C=C1/OCO[C@H]1C(C)C.
What is the InChIKey of ethyl (2E)-2-[(5S)-5-propan-2-yl-1,3-dioxolan-4-ylidene]acetate?
The InChIKey is KTDYTUWJLOXCJF-YVFTVSHDSA-N. The full InChI is InChI=1S/C10H16O4/c1-4-12-9(11)5-8-10(7(2)3)14-6-13-8/h5,7,10H,4,6H2,1-3H3/b8-5+/t10-/m0/s1.
What are the key properties of ethyl (2E)-2-[(5S)-5-propan-2-yl-1,3-dioxolan-4-ylidene]acetate?
ethyl (2E)-2-[(5S)-5-propan-2-yl-1,3-dioxolan-4-ylidene]acetate has a molecular weight of 200.23 g/mol, XLogP of 1.46, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2E)-2-[(5S)-5-propan-2-yl-1,3-dioxolan-4-ylidene]acetate is sourced from PubChem (CID 12037490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).