methyl (Z)-2-(3-methylbut-2-enoxy)but-2-enoate

C10H16O3 — CID 102021697

IUPACmethyl (Z)-2-(3-methylbut-2-enoxy)but-2-enoate
SMILESC/C=C(\OCC=C(C)C)C(=O)OC
InChIInChI=1S/C10H16O3/c1-5-9(10(11)12-4)13-7-6-8(2)3/h5-6H,7H2,1-4H3/b9-5-
InChIKeyUAVXCQFEGNLPIG-UITAMQMPSA-N
MW184.23 g/mol
LogP2.05
Rot. Bonds4

About methyl (Z)-2-(3-methylbut-2-enoxy)but-2-enoate

methyl (Z)-2-(3-methylbut-2-enoxy)but-2-enoate (PubChem CID 102021697) has the molecular formula C10H16O3 and a molecular weight of 184.23 g/mol. Its IUPAC name is methyl (Z)-2-(3-methylbut-2-enoxy)but-2-enoate.

Molecular Properties

Compound Namemethyl (Z)-2-(3-methylbut-2-enoxy)but-2-enoate
PubChem CID102021697
Molecular FormulaC10H16O3
Molecular Weight184.23 g/mol
Exact Mass184.11
IUPAC Namemethyl (Z)-2-(3-methylbut-2-enoxy)but-2-enoate
SMILESC/C=C(\OCC=C(C)C)C(=O)OC
InChIInChI=1S/C10H16O3/c1-5-9(10(11)12-4)13-7-6-8(2)3/h5-6H,7H2,1-4H3/b9-5-
InChIKeyUAVXCQFEGNLPIG-UITAMQMPSA-N
XLogP2.05
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.23
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

3-methylbut-2-enyl acetate
CID 87304509
3-methylbut-2-enyl 3-oxobutanoate
CID 4173429
methyl 2-carbamoyloxybut-2-enoate
CID 173435391
methyl 2-[2-(2-hydroxyethoxy)ethoxy]but-2-enoate
CID 173264602
methyl (2Z)-2-(1-methoxyethylidene)-5-methylhex-4-enoate
CID 10954531
3-methylbut-2-enyl 2,2-dichloroacetate
CID 11138055
CID 101238999
CID 101238999
3-methylbut-2-enyl 2-bromo-2-methylpropanoate
CID 44514814
methyl [(Z)-4-(3-methylbut-2-enoxy)but-2-enyl] carbonate
CID 101449662
propan-2-yl (E)-2-prop-2-enoxybut-2-enoate
CID 25228919
(Z)-4-(3-methylbut-2-enoxy)-4-oxobut-2-enoic acid
CID 141051192
(E)-4-(3-methylbut-2-enoxy)-4-oxobut-2-enoic acid
CID 87169103

Frequently Asked Questions

What is the IUPAC name of methyl (Z)-2-(3-methylbut-2-enoxy)but-2-enoate?
The IUPAC name of methyl (Z)-2-(3-methylbut-2-enoxy)but-2-enoate (CID 102021697) is methyl (Z)-2-(3-methylbut-2-enoxy)but-2-enoate.
What is the SMILES notation for methyl (Z)-2-(3-methylbut-2-enoxy)but-2-enoate?
The canonical SMILES for methyl (Z)-2-(3-methylbut-2-enoxy)but-2-enoate is C/C=C(\OCC=C(C)C)C(=O)OC.
What is the InChIKey of methyl (Z)-2-(3-methylbut-2-enoxy)but-2-enoate?
The InChIKey is UAVXCQFEGNLPIG-UITAMQMPSA-N. The full InChI is InChI=1S/C10H16O3/c1-5-9(10(11)12-4)13-7-6-8(2)3/h5-6H,7H2,1-4H3/b9-5-.
What are the key properties of methyl (Z)-2-(3-methylbut-2-enoxy)but-2-enoate?
methyl (Z)-2-(3-methylbut-2-enoxy)but-2-enoate has a molecular weight of 184.23 g/mol, XLogP of 2.05, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (Z)-2-(3-methylbut-2-enoxy)but-2-enoate is sourced from PubChem (CID 102021697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).