methyl 2-methyl-4-(2-propan-2-yloxyethoxy)but-2-enoate

C11H20O4 — CID 77075097

IUPACmethyl 2-methyl-4-(2-propan-2-yloxyethoxy)but-2-enoate
SMILESCOC(=O)C(C)=CCOCCOC(C)C
InChIInChI=1S/C11H20O4/c1-9(2)15-8-7-14-6-5-10(3)11(12)13-4/h5,9H,6-8H2,1-4H3
InChIKeyWGILDTHNWXTGHU-UHFFFAOYSA-N
MW216.28 g/mol
LogP1.55
Rot. Bonds7

About methyl 2-methyl-4-(2-propan-2-yloxyethoxy)but-2-enoate

methyl 2-methyl-4-(2-propan-2-yloxyethoxy)but-2-enoate (PubChem CID 77075097) has the molecular formula C11H20O4 and a molecular weight of 216.28 g/mol. Its IUPAC name is methyl 2-methyl-4-(2-propan-2-yloxyethoxy)but-2-enoate.

Molecular Properties

Compound Namemethyl 2-methyl-4-(2-propan-2-yloxyethoxy)but-2-enoate
PubChem CID77075097
Molecular FormulaC11H20O4
Molecular Weight216.28 g/mol
Exact Mass216.14
IUPAC Namemethyl 2-methyl-4-(2-propan-2-yloxyethoxy)but-2-enoate
SMILESCOC(=O)C(C)=CCOCCOC(C)C
InChIInChI=1S/C11H20O4/c1-9(2)15-8-7-14-6-5-10(3)11(12)13-4/h5,9H,6-8H2,1-4H3
InChIKeyWGILDTHNWXTGHU-UHFFFAOYSA-N
XLogP1.55
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-methyl-4-(2-propan-2-yloxyethylamino)but-2-enoate
CID 103266527
methyl 4-heptoxy-2-methylbut-2-enoate
CID 77074766
methyl 2-methyl-4-pent-4-enoxybut-2-enoate
CID 79114847
methyl 2-methyl-4-(2-pyridin-2-ylethoxy)but-2-enoate
CID 77076347
1-[2-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethoxy]ethoxy]propan-2-one
CID 170040791
2-methyl-4-propan-2-yloxybut-2-enoic acid
CID 77074983
methyl 5-amino-2-methylpent-2-enoate
CID 57069789
methyl 4-[butan-2-yl(methyl)amino]-2-methylbut-2-enoate
CID 77076417
methyl (Z)-2-methyl-4-(3-methylpentan-2-ylamino)but-2-enoate
CID 104577680
2-[2-[2-[2-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propane
CID 87184275
methyl (E)-2-methylhex-2-enoate
CID 5364816
3-methyl-4-(2-propan-2-yloxyethoxy)but-2-enoic acid
CID 77005567

Frequently Asked Questions

What is the IUPAC name of methyl 2-methyl-4-(2-propan-2-yloxyethoxy)but-2-enoate?
The IUPAC name of methyl 2-methyl-4-(2-propan-2-yloxyethoxy)but-2-enoate (CID 77075097) is methyl 2-methyl-4-(2-propan-2-yloxyethoxy)but-2-enoate.
What is the SMILES notation for methyl 2-methyl-4-(2-propan-2-yloxyethoxy)but-2-enoate?
The canonical SMILES for methyl 2-methyl-4-(2-propan-2-yloxyethoxy)but-2-enoate is COC(=O)C(C)=CCOCCOC(C)C.
What is the InChIKey of methyl 2-methyl-4-(2-propan-2-yloxyethoxy)but-2-enoate?
The InChIKey is WGILDTHNWXTGHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O4/c1-9(2)15-8-7-14-6-5-10(3)11(12)13-4/h5,9H,6-8H2,1-4H3.
What are the key properties of methyl 2-methyl-4-(2-propan-2-yloxyethoxy)but-2-enoate?
methyl 2-methyl-4-(2-propan-2-yloxyethoxy)but-2-enoate has a molecular weight of 216.28 g/mol, XLogP of 1.55, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methyl-4-(2-propan-2-yloxyethoxy)but-2-enoate is sourced from PubChem (CID 77075097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).