propan-2-yl (2E)-2-(4-methoxyoxolan-2-ylidene)acetate

C10H16O4 — CID 121216093

IUPACpropan-2-yl (2E)-2-(4-methoxyoxolan-2-ylidene)acetate
SMILESCOC1CO/C(=C/C(=O)OC(C)C)C1
InChIInChI=1S/C10H16O4/c1-7(2)14-10(11)5-8-4-9(12-3)6-13-8/h5,7,9H,4,6H2,1-3H3/b8-5+
InChIKeyZKOISYWTSRMKIE-VMPITWQZSA-N
MW200.23 g/mol
LogP1.26
Rot. Bonds3

About propan-2-yl (2E)-2-(4-methoxyoxolan-2-ylidene)acetate

propan-2-yl (2E)-2-(4-methoxyoxolan-2-ylidene)acetate (PubChem CID 121216093) has the molecular formula C10H16O4 and a molecular weight of 200.23 g/mol. Its IUPAC name is propan-2-yl (2E)-2-(4-methoxyoxolan-2-ylidene)acetate.

Molecular Properties

Compound Namepropan-2-yl (2E)-2-(4-methoxyoxolan-2-ylidene)acetate
PubChem CID121216093
Molecular FormulaC10H16O4
Molecular Weight200.23 g/mol
Exact Mass200.10
IUPAC Namepropan-2-yl (2E)-2-(4-methoxyoxolan-2-ylidene)acetate
SMILESCOC1CO/C(=C/C(=O)OC(C)C)C1
InChIInChI=1S/C10H16O4/c1-7(2)14-10(11)5-8-4-9(12-3)6-13-8/h5,7,9H,4,6H2,1-3H3/b8-5+
InChIKeyZKOISYWTSRMKIE-VMPITWQZSA-N
XLogP1.26
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 ≤ 51.26
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

5,6-Dihydro-4-methoxy-6-methyl-2H-pyran-2-one
CID 229844
[(2R,3S,6R)-3-acetyloxy-6-prop-2-enyl-3,6-dihydro-2H-pyran-2-yl]methyl acetate
CID 11807214
ethyl (E)-4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]but-2-enoate
CID 11458548
[4-allyloxy-2-(2,2-dimethyl-1,3-dioxolan-4-yl)-5-oxo-2H-furan-3-yl] acetate
CID 386045
3,4-Bis-allyloxy-5-(2,2-dimethyl-[1,3]dioxolan-4-yl)-5H-furan-2-one
CID 386048
[3-allyloxy-2-(2,2-dimethyl-1,3-dioxolan-4-yl)-5-oxo-2H-furan-4-yl] acetate
CID 387132
methyl (2E)-2-(5-methyloxolan-2-ylidene)acetate
CID 5387115
ethyl (2Z)-2-fluoro-2-(4-methoxyoxolan-2-ylidene)acetate
CID 135010848
Ethyl E-(dihydrofuran-2-ylidene)acetate
CID 11084120
methyl (2E)-2-[(3S,4S)-4-methoxy-3-methyloxolan-2-ylidene]acetate
CID 11286887
tert-butyl (2E)-2-(oxolan-2-ylidene)acetate
CID 13430113
[(2R,3R,6S)-3-acetyloxy-6-propa-1,2-dienyl-3,6-dihydro-2H-pyran-2-yl]methyl acetate
CID 21597506

Frequently Asked Questions

What is the IUPAC name of propan-2-yl (2E)-2-(4-methoxyoxolan-2-ylidene)acetate?
The IUPAC name of propan-2-yl (2E)-2-(4-methoxyoxolan-2-ylidene)acetate (CID 121216093) is propan-2-yl (2E)-2-(4-methoxyoxolan-2-ylidene)acetate.
What is the SMILES notation for propan-2-yl (2E)-2-(4-methoxyoxolan-2-ylidene)acetate?
The canonical SMILES for propan-2-yl (2E)-2-(4-methoxyoxolan-2-ylidene)acetate is COC1CO/C(=C/C(=O)OC(C)C)C1.
What is the InChIKey of propan-2-yl (2E)-2-(4-methoxyoxolan-2-ylidene)acetate?
The InChIKey is ZKOISYWTSRMKIE-VMPITWQZSA-N. The full InChI is InChI=1S/C10H16O4/c1-7(2)14-10(11)5-8-4-9(12-3)6-13-8/h5,7,9H,4,6H2,1-3H3/b8-5+.
What are the key properties of propan-2-yl (2E)-2-(4-methoxyoxolan-2-ylidene)acetate?
propan-2-yl (2E)-2-(4-methoxyoxolan-2-ylidene)acetate has a molecular weight of 200.23 g/mol, XLogP of 1.26, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl (2E)-2-(4-methoxyoxolan-2-ylidene)acetate is sourced from PubChem (CID 121216093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).