1-(1-butoxyethoxy)ethyl 2-methylprop-2-enoate

C12H22O4 — CID 18421201

IUPAC1-(1-butoxyethoxy)ethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC(C)OC(C)OCCCC
InChIInChI=1S/C12H22O4/c1-6-7-8-14-10(4)15-11(5)16-12(13)9(2)3/h10-11H,2,6-8H2,1,3-5H3
InChIKeyMVDOVZPLGUOPCB-UHFFFAOYSA-N
MW230.30 g/mol
LogP2.63
Rot. Bonds8

About 1-(1-butoxyethoxy)ethyl 2-methylprop-2-enoate

1-(1-butoxyethoxy)ethyl 2-methylprop-2-enoate (PubChem CID 18421201) has the molecular formula C12H22O4 and a molecular weight of 230.30 g/mol. Its IUPAC name is 1-(1-butoxyethoxy)ethyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name1-(1-butoxyethoxy)ethyl 2-methylprop-2-enoate
PubChem CID18421201
Molecular FormulaC12H22O4
Molecular Weight230.30 g/mol
Exact Mass230.15
IUPAC Name1-(1-butoxyethoxy)ethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC(C)OC(C)OCCCC
InChIInChI=1S/C12H22O4/c1-6-7-8-14-10(4)15-11(5)16-12(13)9(2)3/h10-11H,2,6-8H2,1,3-5H3
InChIKeyMVDOVZPLGUOPCB-UHFFFAOYSA-N
XLogP2.63
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.30
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(1-butoxyethoxy)ethyl 2-methylprop-2-enoate?
The IUPAC name of 1-(1-butoxyethoxy)ethyl 2-methylprop-2-enoate (CID 18421201) is 1-(1-butoxyethoxy)ethyl 2-methylprop-2-enoate.
What is the SMILES notation for 1-(1-butoxyethoxy)ethyl 2-methylprop-2-enoate?
The canonical SMILES for 1-(1-butoxyethoxy)ethyl 2-methylprop-2-enoate is C=C(C)C(=O)OC(C)OC(C)OCCCC.
What is the InChIKey of 1-(1-butoxyethoxy)ethyl 2-methylprop-2-enoate?
The InChIKey is MVDOVZPLGUOPCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O4/c1-6-7-8-14-10(4)15-11(5)16-12(13)9(2)3/h10-11H,2,6-8H2,1,3-5H3.
What are the key properties of 1-(1-butoxyethoxy)ethyl 2-methylprop-2-enoate?
1-(1-butoxyethoxy)ethyl 2-methylprop-2-enoate has a molecular weight of 230.30 g/mol, XLogP of 2.63, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-butoxyethoxy)ethyl 2-methylprop-2-enoate is sourced from PubChem (CID 18421201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).