1-butoxyethenyl 2-methylprop-2-enoate

C10H16O3 — CID 139616041

IUPAC1-butoxyethenyl 2-methylprop-2-enoate
SMILESC=C(OCCCC)OC(=O)C(=C)C
InChIInChI=1S/C10H16O3/c1-5-6-7-12-9(4)13-10(11)8(2)3/h2,4-7H2,1,3H3
InChIKeyOVQHVOOFBCSBHQ-UHFFFAOYSA-N
MW184.23 g/mol
LogP2.39
Rot. Bonds6

About 1-butoxyethenyl 2-methylprop-2-enoate

1-butoxyethenyl 2-methylprop-2-enoate (PubChem CID 139616041) has the molecular formula C10H16O3 and a molecular weight of 184.23 g/mol. Its IUPAC name is 1-butoxyethenyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name1-butoxyethenyl 2-methylprop-2-enoate
PubChem CID139616041
Molecular FormulaC10H16O3
Molecular Weight184.23 g/mol
Exact Mass184.11
IUPAC Name1-butoxyethenyl 2-methylprop-2-enoate
SMILESC=C(OCCCC)OC(=O)C(=C)C
InChIInChI=1S/C10H16O3/c1-5-6-7-12-9(4)13-10(11)8(2)3/h2,4-7H2,1,3H3
InChIKeyOVQHVOOFBCSBHQ-UHFFFAOYSA-N
XLogP2.39
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.23
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'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;methane
CID 159646333
butyl 2-methylprop-2-enoate;λ2-stannane
CID 173448670
butyl 2-methylprop-2-enoate;ethene
CID 158758814
butyl 2-methylprop-2-enoate;carbamic acid
CID 174813698
butyl 2-methylprop-2-enoate;hexyl 2-methylprop-2-enoate
CID 19882000
dodecyl 2-methylprop-2-enoate;propyl 2-methylprop-2-enoate
CID 87150170
butyl 2-methylprop-2-enoate;2-methoxyethyl 2-methylprop-2-enoate
CID 88636576
butyl 2-methylprop-2-enoate;ethoxysilane;propyl 2-methylprop-2-enoate
CID 175326271
octatetracontyl 2-methylprop-2-enoate
CID 141233444
decyl 2-methylprop-2-enoate;dodecyl 2-methylprop-2-enoate;heptadecyl 2-methylprop-2-enoate;hexadecyl 2-methylprop-2-enoate;nonadecyl 2-methylprop-2-enoate;nonyl 2-methylprop-2-enoate;octadecyl 2-methylprop-2-enoate;pentadecyl 2-methylprop-2-enoate;tetradecyl 2-methylprop-2-enoate;tridecyl 2-methylprop-2-enoate;undecyl 2-methylprop-2-enoate
CID 161498189
dodecyl 2-methylprop-2-enoate;hexadecyl 2-methylprop-2-enoate;icosyl 2-methylprop-2-enoate;octadecyl 2-methylprop-2-enoate;tetradecyl 2-methylprop-2-enoate
CID 170851547
decyl 2-methylprop-2-enoate;dodecyl 2-methylprop-2-enoate;hexadecyl 2-methylprop-2-enoate;pentadecyl 2-methylprop-2-enoate;tetradecyl 2-methylprop-2-enoate;tridecyl 2-methylprop-2-enoate;undecyl 2-methylprop-2-enoate
CID 164995054

Frequently Asked Questions

What is the IUPAC name of 1-butoxyethenyl 2-methylprop-2-enoate?
The IUPAC name of 1-butoxyethenyl 2-methylprop-2-enoate (CID 139616041) is 1-butoxyethenyl 2-methylprop-2-enoate.
What is the SMILES notation for 1-butoxyethenyl 2-methylprop-2-enoate?
The canonical SMILES for 1-butoxyethenyl 2-methylprop-2-enoate is C=C(OCCCC)OC(=O)C(=C)C.
What is the InChIKey of 1-butoxyethenyl 2-methylprop-2-enoate?
The InChIKey is OVQHVOOFBCSBHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O3/c1-5-6-7-12-9(4)13-10(11)8(2)3/h2,4-7H2,1,3H3.
What are the key properties of 1-butoxyethenyl 2-methylprop-2-enoate?
1-butoxyethenyl 2-methylprop-2-enoate has a molecular weight of 184.23 g/mol, XLogP of 2.39, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butoxyethenyl 2-methylprop-2-enoate is sourced from PubChem (CID 139616041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).