(1-butoxy-1-oxopropan-2-yl) 2-methylprop-2-enoate

C11H18O4 — CID 58027740

IUPAC(1-butoxy-1-oxopropan-2-yl) 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC(C)C(=O)OCCCC
InChIInChI=1S/C11H18O4/c1-5-6-7-14-11(13)9(4)15-10(12)8(2)3/h9H,2,5-7H2,1,3-4H3
InChIKeyTYQIODLRCWFPGF-UHFFFAOYSA-N
MW214.26 g/mol
LogP1.84
Rot. Bonds6

About (1-butoxy-1-oxopropan-2-yl) 2-methylprop-2-enoate

(1-butoxy-1-oxopropan-2-yl) 2-methylprop-2-enoate (PubChem CID 58027740) has the molecular formula C11H18O4 and a molecular weight of 214.26 g/mol. Its IUPAC name is (1-butoxy-1-oxopropan-2-yl) 2-methylprop-2-enoate.

Molecular Properties

Compound Name(1-butoxy-1-oxopropan-2-yl) 2-methylprop-2-enoate
PubChem CID58027740
Molecular FormulaC11H18O4
Molecular Weight214.26 g/mol
Exact Mass214.12
IUPAC Name(1-butoxy-1-oxopropan-2-yl) 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC(C)C(=O)OCCCC
InChIInChI=1S/C11H18O4/c1-5-6-7-14-11(13)9(4)15-10(12)8(2)3/h9H,2,5-7H2,1,3-4H3
InChIKeyTYQIODLRCWFPGF-UHFFFAOYSA-N
XLogP1.84
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 51.84
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

butyl 2-methylprop-2-enoate;propan-2-yl 2-methylprop-2-enoate
CID 20503506
[1-(2-ethylhexoxy)-1-oxopropan-2-yl] 2-methylprop-2-enoate
CID 139671212
butyl 2-methylprop-2-enoate;methane
CID 159646333
butyl 2-methylprop-2-enoate;λ2-stannane
CID 173448670
butyl 2-methylprop-2-enoate;ethene
CID 158758814
1-butoxycarbonyloxyethyl 2-methylprop-2-eneperoxoate
CID 88655933
butyl 2,2-difluoro-3-(2-methylprop-2-enoyloxy)pentanoate
CID 86663489
butyl 2-methylprop-2-enoate;carbamic acid
CID 174813698
butyl 2-methylprop-2-enoate;hexyl 2-methylprop-2-enoate
CID 19882000
1-butoxyethenyl 2-methylprop-2-enoate
CID 139616041
butyl 2-methylprop-2-enoate;2-methoxyethyl 2-methylprop-2-enoate
CID 88636576
2-[2-(2-hydroxypropanoyloxy)propanoyloxy]ethyl 2-methylprop-2-enoate
CID 59305982

Frequently Asked Questions

What is the IUPAC name of (1-butoxy-1-oxopropan-2-yl) 2-methylprop-2-enoate?
The IUPAC name of (1-butoxy-1-oxopropan-2-yl) 2-methylprop-2-enoate (CID 58027740) is (1-butoxy-1-oxopropan-2-yl) 2-methylprop-2-enoate.
What is the SMILES notation for (1-butoxy-1-oxopropan-2-yl) 2-methylprop-2-enoate?
The canonical SMILES for (1-butoxy-1-oxopropan-2-yl) 2-methylprop-2-enoate is C=C(C)C(=O)OC(C)C(=O)OCCCC.
What is the InChIKey of (1-butoxy-1-oxopropan-2-yl) 2-methylprop-2-enoate?
The InChIKey is TYQIODLRCWFPGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O4/c1-5-6-7-14-11(13)9(4)15-10(12)8(2)3/h9H,2,5-7H2,1,3-4H3.
What are the key properties of (1-butoxy-1-oxopropan-2-yl) 2-methylprop-2-enoate?
(1-butoxy-1-oxopropan-2-yl) 2-methylprop-2-enoate has a molecular weight of 214.26 g/mol, XLogP of 1.84, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-butoxy-1-oxopropan-2-yl) 2-methylprop-2-enoate is sourced from PubChem (CID 58027740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).