methyl (2Z)-2-[2,5-di(propan-2-yl)-1,3-dioxolan-4-ylidene]acetate

C12H20O4 — CID 101153860

IUPACmethyl (2Z)-2-[2,5-di(propan-2-yl)-1,3-dioxolan-4-ylidene]acetate
SMILESCOC(=O)/C=C1\OC(C(C)C)OC1C(C)C
InChIInChI=1S/C12H20O4/c1-7(2)11-9(6-10(13)14-5)15-12(16-11)8(3)4/h6-8,11-12H,1-5H3/b9-6-
InChIKeyFBFQVYTWDLCPAK-TWGQIWQCSA-N
MW228.29 g/mol
LogP2.10
Rot. Bonds3

About methyl (2Z)-2-[2,5-di(propan-2-yl)-1,3-dioxolan-4-ylidene]acetate

methyl (2Z)-2-[2,5-di(propan-2-yl)-1,3-dioxolan-4-ylidene]acetate (PubChem CID 101153860) has the molecular formula C12H20O4 and a molecular weight of 228.29 g/mol. Its IUPAC name is methyl (2Z)-2-[2,5-di(propan-2-yl)-1,3-dioxolan-4-ylidene]acetate.

Molecular Properties

Compound Namemethyl (2Z)-2-[2,5-di(propan-2-yl)-1,3-dioxolan-4-ylidene]acetate
PubChem CID101153860
Molecular FormulaC12H20O4
Molecular Weight228.29 g/mol
Exact Mass228.14
IUPAC Namemethyl (2Z)-2-[2,5-di(propan-2-yl)-1,3-dioxolan-4-ylidene]acetate
SMILESCOC(=O)/C=C1\OC(C(C)C)OC1C(C)C
InChIInChI=1S/C12H20O4/c1-7(2)11-9(6-10(13)14-5)15-12(16-11)8(3)4/h6-8,11-12H,1-5H3/b9-6-
InChIKeyFBFQVYTWDLCPAK-TWGQIWQCSA-N
XLogP2.10
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze methyl (2Z)-2-[2,5-di(propan-2-yl)-1,3-dioxolan-4-ylidene]acetate with MolForge

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Related Compounds

methyl (2E)-2-[(3S,4S)-4-methoxy-3-methyloxolan-2-ylidene]acetate
CID 11286887
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
ethyl (E,4S)-6-(1,3-dioxolan-2-yl)-4-methylhex-2-enoate
CID 24822224
ethyl (2S,4R)-2-ethoxy-4-methyl-3,4-dihydro-2H-pyran-6-carboxylate
CID 45094352
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
methyl (2Z)-2-[2,5-bis(2-methylpropyl)-1,3-dioxolan-4-ylidene]acetate
CID 101153861
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
6-[3-(1,3-Dioxolan-2-yl)propyl]-2,2-dimethyl-1,3-dioxin-4-one
CID 10586238
ethyl (E)-3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]but-2-enoate
CID 11074756

Frequently Asked Questions

What is the IUPAC name of methyl (2Z)-2-[2,5-di(propan-2-yl)-1,3-dioxolan-4-ylidene]acetate?
The IUPAC name of methyl (2Z)-2-[2,5-di(propan-2-yl)-1,3-dioxolan-4-ylidene]acetate (CID 101153860) is methyl (2Z)-2-[2,5-di(propan-2-yl)-1,3-dioxolan-4-ylidene]acetate.
What is the SMILES notation for methyl (2Z)-2-[2,5-di(propan-2-yl)-1,3-dioxolan-4-ylidene]acetate?
The canonical SMILES for methyl (2Z)-2-[2,5-di(propan-2-yl)-1,3-dioxolan-4-ylidene]acetate is COC(=O)/C=C1\OC(C(C)C)OC1C(C)C.
What is the InChIKey of methyl (2Z)-2-[2,5-di(propan-2-yl)-1,3-dioxolan-4-ylidene]acetate?
The InChIKey is FBFQVYTWDLCPAK-TWGQIWQCSA-N. The full InChI is InChI=1S/C12H20O4/c1-7(2)11-9(6-10(13)14-5)15-12(16-11)8(3)4/h6-8,11-12H,1-5H3/b9-6-.
What are the key properties of methyl (2Z)-2-[2,5-di(propan-2-yl)-1,3-dioxolan-4-ylidene]acetate?
methyl (2Z)-2-[2,5-di(propan-2-yl)-1,3-dioxolan-4-ylidene]acetate has a molecular weight of 228.29 g/mol, XLogP of 2.10, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2Z)-2-[2,5-di(propan-2-yl)-1,3-dioxolan-4-ylidene]acetate is sourced from PubChem (CID 101153860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).