ethyl 2-(2-butoxypropoxymethyl)prop-2-enoate

C13H24O4 — CID 139854890

IUPACethyl 2-(2-butoxypropoxymethyl)prop-2-enoate
SMILESC=C(COCC(C)OCCCC)C(=O)OCC
InChIInChI=1S/C13H24O4/c1-5-7-8-17-12(4)10-15-9-11(3)13(14)16-6-2/h12H,3,5-10H2,1-2,4H3
InChIKeyQNACHZWBHOFOBY-UHFFFAOYSA-N
MW244.33 g/mol
LogP2.33
Rot. Bonds10

About ethyl 2-(2-butoxypropoxymethyl)prop-2-enoate

ethyl 2-(2-butoxypropoxymethyl)prop-2-enoate (PubChem CID 139854890) has the molecular formula C13H24O4 and a molecular weight of 244.33 g/mol. Its IUPAC name is ethyl 2-(2-butoxypropoxymethyl)prop-2-enoate.

Molecular Properties

Compound Nameethyl 2-(2-butoxypropoxymethyl)prop-2-enoate
PubChem CID139854890
Molecular FormulaC13H24O4
Molecular Weight244.33 g/mol
Exact Mass244.17
IUPAC Nameethyl 2-(2-butoxypropoxymethyl)prop-2-enoate
SMILESC=C(COCC(C)OCCCC)C(=O)OCC
InChIInChI=1S/C13H24O4/c1-5-7-8-17-12(4)10-15-9-11(3)13(14)16-6-2/h12H,3,5-10H2,1-2,4H3
InChIKeyQNACHZWBHOFOBY-UHFFFAOYSA-N
XLogP2.33
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.33
LogP ≤ 52.33
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

ethyl 2-[2-(2-methylpropoxy)ethoxymethyl]prop-2-enoate
CID 106446640
1-(2-ethoxycarbonylprop-2-enoxy)propan-2-ylphosphonic acid
CID 59930586
1-[1-[2-(2-methylprop-2-enoxy)ethoxy]propan-2-yloxy]butane
CID 58362293
3-aminopropyl 2-(butoxymethyl)prop-2-enoate
CID 174450867
1-(2-butoxypropoxy)propan-2-yl pentanoate
CID 174499088
methyl 2-[2-(2-hydroxypropoxy)propoxymethyl]prop-2-enoate
CID 139745290
ethyl 2-(pent-4-en-2-yloxymethyl)prop-2-enoate
CID 121308140
ethyl 2-(hydroperoxymethyl)prop-2-enoate
CID 19795051
ethyl 2-(methoxymethoxymethyl)prop-2-enoate
CID 15153939
3-butoxybutyl ethyl carbonate
CID 87247604
ethyl 3-[3-(3-ethoxycarbonylbut-3-en-2-yloxy)propoxy]-2-methylidenebutanoate
CID 23524670
ethyl 3-[4-(3-ethoxycarbonylbut-3-en-2-yloxy)butoxy]-2-methylidenebutanoate
CID 22894432

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2-butoxypropoxymethyl)prop-2-enoate?
The IUPAC name of ethyl 2-(2-butoxypropoxymethyl)prop-2-enoate (CID 139854890) is ethyl 2-(2-butoxypropoxymethyl)prop-2-enoate.
What is the SMILES notation for ethyl 2-(2-butoxypropoxymethyl)prop-2-enoate?
The canonical SMILES for ethyl 2-(2-butoxypropoxymethyl)prop-2-enoate is C=C(COCC(C)OCCCC)C(=O)OCC.
What is the InChIKey of ethyl 2-(2-butoxypropoxymethyl)prop-2-enoate?
The InChIKey is QNACHZWBHOFOBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O4/c1-5-7-8-17-12(4)10-15-9-11(3)13(14)16-6-2/h12H,3,5-10H2,1-2,4H3.
What are the key properties of ethyl 2-(2-butoxypropoxymethyl)prop-2-enoate?
ethyl 2-(2-butoxypropoxymethyl)prop-2-enoate has a molecular weight of 244.33 g/mol, XLogP of 2.33, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2-butoxypropoxymethyl)prop-2-enoate is sourced from PubChem (CID 139854890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).