methyl 2-methylbut-3-en-2-yl carbonate

C7H12O3 — CID 11137284

IUPACmethyl 2-methylbut-3-en-2-yl carbonate
SMILESC=CC(C)(C)OC(=O)OC
InChIInChI=1S/C7H12O3/c1-5-7(2,3)10-6(8)9-4/h5H,1H2,2-4H3
InChIKeyIDPCESUDADBKMH-UHFFFAOYSA-N
MW144.17 g/mol
LogP1.73
Rot. Bonds2

About methyl 2-methylbut-3-en-2-yl carbonate

methyl 2-methylbut-3-en-2-yl carbonate (PubChem CID 11137284) has the molecular formula C7H12O3 and a molecular weight of 144.17 g/mol. Its IUPAC name is methyl 2-methylbut-3-en-2-yl carbonate.

Molecular Properties

Compound Namemethyl 2-methylbut-3-en-2-yl carbonate
PubChem CID11137284
Molecular FormulaC7H12O3
Molecular Weight144.17 g/mol
Exact Mass144.08
IUPAC Namemethyl 2-methylbut-3-en-2-yl carbonate
SMILESC=CC(C)(C)OC(=O)OC
InChIInChI=1S/C7H12O3/c1-5-7(2,3)10-6(8)9-4/h5H,1H2,2-4H3
InChIKeyIDPCESUDADBKMH-UHFFFAOYSA-N
XLogP1.73
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.17
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Allyl-t-butylcarbonate
CID 11194471
Tert-butyl 2-methylbut-3-en-2-yl carbonate
CID 11615305
Carbonic acid, 1-ethenylcyclopropyl ethyl ester
CID 11829684
But-3-en-2-yl ethyl carbonate
CID 11137281
2-Methylbut-3-en-2-yl 2-methylpropyl carbonate
CID 11217669
(4R)-4-ethenyl-4-methyl-1,3-dioxolan-2-one
CID 11768583
Carbonic acid, methyl 1-methyl-2-propenyl ester
CID 11829469
3,3-Dimethoxybut-1-ene
CID 13028910
But-3-en-2-yl tert-butyl carbonate
CID 21655565
4-Ethenyl-4-methyl-1,3-dioxolan-2-one
CID 22348558
2-Methylbut-3-en-2-yl propan-2-yl carbonate
CID 135023853
[(2S)-but-3-en-2-yl] methyl carbonate
CID 11126286

Frequently Asked Questions

What is the IUPAC name of methyl 2-methylbut-3-en-2-yl carbonate?
The IUPAC name of methyl 2-methylbut-3-en-2-yl carbonate (CID 11137284) is methyl 2-methylbut-3-en-2-yl carbonate.
What is the SMILES notation for methyl 2-methylbut-3-en-2-yl carbonate?
The canonical SMILES for methyl 2-methylbut-3-en-2-yl carbonate is C=CC(C)(C)OC(=O)OC.
What is the InChIKey of methyl 2-methylbut-3-en-2-yl carbonate?
The InChIKey is IDPCESUDADBKMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O3/c1-5-7(2,3)10-6(8)9-4/h5H,1H2,2-4H3.
What are the key properties of methyl 2-methylbut-3-en-2-yl carbonate?
methyl 2-methylbut-3-en-2-yl carbonate has a molecular weight of 144.17 g/mol, XLogP of 1.73, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methylbut-3-en-2-yl carbonate is sourced from PubChem (CID 11137284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).