1-butoxycarbonyloxyethyl 2-methylprop-2-enoate

C11H18O5 — CID 19063426

IUPAC1-butoxycarbonyloxyethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC(C)OC(=O)OCCCC
InChIInChI=1S/C11H18O5/c1-5-6-7-14-11(13)16-9(4)15-10(12)8(2)3/h9H,2,5-7H2,1,3-4H3
InChIKeyMYBIFNWBFFCJDX-UHFFFAOYSA-N
MW230.26 g/mol
LogP2.40
Rot. Bonds6

About 1-butoxycarbonyloxyethyl 2-methylprop-2-enoate

1-butoxycarbonyloxyethyl 2-methylprop-2-enoate (PubChem CID 19063426) has the molecular formula C11H18O5 and a molecular weight of 230.26 g/mol. Its IUPAC name is 1-butoxycarbonyloxyethyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name1-butoxycarbonyloxyethyl 2-methylprop-2-enoate
PubChem CID19063426
Molecular FormulaC11H18O5
Molecular Weight230.26 g/mol
Exact Mass230.12
IUPAC Name1-butoxycarbonyloxyethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC(C)OC(=O)OCCCC
InChIInChI=1S/C11H18O5/c1-5-6-7-14-11(13)16-9(4)15-10(12)8(2)3/h9H,2,5-7H2,1,3-4H3
InChIKeyMYBIFNWBFFCJDX-UHFFFAOYSA-N
XLogP2.40
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.26
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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-butoxycarbonyloxyethyl 2-methylprop-2-enoate?
The IUPAC name of 1-butoxycarbonyloxyethyl 2-methylprop-2-enoate (CID 19063426) is 1-butoxycarbonyloxyethyl 2-methylprop-2-enoate.
What is the SMILES notation for 1-butoxycarbonyloxyethyl 2-methylprop-2-enoate?
The canonical SMILES for 1-butoxycarbonyloxyethyl 2-methylprop-2-enoate is C=C(C)C(=O)OC(C)OC(=O)OCCCC.
What is the InChIKey of 1-butoxycarbonyloxyethyl 2-methylprop-2-enoate?
The InChIKey is MYBIFNWBFFCJDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O5/c1-5-6-7-14-11(13)16-9(4)15-10(12)8(2)3/h9H,2,5-7H2,1,3-4H3.
What are the key properties of 1-butoxycarbonyloxyethyl 2-methylprop-2-enoate?
1-butoxycarbonyloxyethyl 2-methylprop-2-enoate has a molecular weight of 230.26 g/mol, XLogP of 2.40, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butoxycarbonyloxyethyl 2-methylprop-2-enoate is sourced from PubChem (CID 19063426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).