3-prop-2-enoyloxybutyl prop-2-enoate;2-prop-2-enoyloxyethyl prop-2-enoate

C18H24O8 — CID 162118365

IUPAC3-prop-2-enoyloxybutyl prop-2-enoate;2-prop-2-enoyloxyethyl prop-2-enoate
SMILESC=CC(=O)OCCC(C)OC(=O)C=C.C=CC(=O)OCCOC(=O)C=C
InChIInChI=1S/C10H14O4.C8H10O4/c1-4-9(11)13-7-6-8(3)14-10(12)5-2;1-3-7(9)11-5-6-12-8(10)4-2/h4-5,8H,1-2,6-7H2,3H3;3-4H,1-2,5-6H2
InChIKeyZHBOZEGVXPLNNM-UHFFFAOYSA-N
MW368.38 g/mol
LogP1.67
Rot. Bonds11

About 3-prop-2-enoyloxybutyl prop-2-enoate;2-prop-2-enoyloxyethyl prop-2-enoate

3-prop-2-enoyloxybutyl prop-2-enoate;2-prop-2-enoyloxyethyl prop-2-enoate (PubChem CID 162118365) has the molecular formula C18H24O8 and a molecular weight of 368.38 g/mol. Its IUPAC name is 3-prop-2-enoyloxybutyl prop-2-enoate;2-prop-2-enoyloxyethyl prop-2-enoate.

Molecular Properties

Compound Name3-prop-2-enoyloxybutyl prop-2-enoate;2-prop-2-enoyloxyethyl prop-2-enoate
PubChem CID162118365
Molecular FormulaC18H24O8
Molecular Weight368.38 g/mol
Exact Mass368.15
IUPAC Name3-prop-2-enoyloxybutyl prop-2-enoate;2-prop-2-enoyloxyethyl prop-2-enoate
SMILESC=CC(=O)OCCC(C)OC(=O)C=C.C=CC(=O)OCCOC(=O)C=C
InChIInChI=1S/C10H14O4.C8H10O4/c1-4-9(11)13-7-6-8(3)14-10(12)5-2;1-3-7(9)11-5-6-12-8(10)4-2/h4-5,8H,1-2,6-7H2,3H3;3-4H,1-2,5-6H2
InChIKeyZHBOZEGVXPLNNM-UHFFFAOYSA-N
XLogP1.67
TPSA105.20 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.38
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', '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

3-[3-[3-[3-[3-[3-[3-[3-[3-[3-(3-prop-2-enoyloxybutoxy)butoxy]butoxy]butoxy]butoxy]butoxy]butoxy]butoxy]butoxy]butoxy]butyl prop-2-enoate
CID 102116747
3-prop-2-enoyloxybutyl prop-2-enoate;5-prop-2-enoyloxypentyl prop-2-enoate
CID 162239045
hexanedioic acid;3-prop-2-enoyloxybutyl prop-2-enoate
CID 157302822
6-prop-2-enoyloxyheptan-2-yl prop-2-enoate
CID 58537732
(4-hydroxy-3-methyl-4-prop-2-enoyloxybutyl) prop-2-enoate
CID 19429006
5-methylhexan-2-yl prop-2-enoate
CID 151222941
methane;2-prop-2-enoyloxypropyl prop-2-enoate
CID 161351901
4-dihydroxyphosphinothioyloxybutan-2-yl prop-2-enoate
CID 174977844
5-oxohept-6-en-2-yl prop-2-enoate
CID 23534043
4-prop-2-enoyloxypentanoic acid
CID 87568780
3-[3-methyl-3-(2-prop-2-enoyloxyethoxy)butoxy]butyl prop-2-enoate
CID 89231934
2-prop-2-enoyloxyethyl prop-2-enoate;zinc
CID 88622091

Frequently Asked Questions

What is the IUPAC name of 3-prop-2-enoyloxybutyl prop-2-enoate;2-prop-2-enoyloxyethyl prop-2-enoate?
The IUPAC name of 3-prop-2-enoyloxybutyl prop-2-enoate;2-prop-2-enoyloxyethyl prop-2-enoate (CID 162118365) is 3-prop-2-enoyloxybutyl prop-2-enoate;2-prop-2-enoyloxyethyl prop-2-enoate.
What is the SMILES notation for 3-prop-2-enoyloxybutyl prop-2-enoate;2-prop-2-enoyloxyethyl prop-2-enoate?
The canonical SMILES for 3-prop-2-enoyloxybutyl prop-2-enoate;2-prop-2-enoyloxyethyl prop-2-enoate is C=CC(=O)OCCC(C)OC(=O)C=C.C=CC(=O)OCCOC(=O)C=C.
What is the InChIKey of 3-prop-2-enoyloxybutyl prop-2-enoate;2-prop-2-enoyloxyethyl prop-2-enoate?
The InChIKey is ZHBOZEGVXPLNNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O4.C8H10O4/c1-4-9(11)13-7-6-8(3)14-10(12)5-2;1-3-7(9)11-5-6-12-8(10)4-2/h4-5,8H,1-2,6-7H2,3H3;3-4H,1-2,5-6H2.
What are the key properties of 3-prop-2-enoyloxybutyl prop-2-enoate;2-prop-2-enoyloxyethyl prop-2-enoate?
3-prop-2-enoyloxybutyl prop-2-enoate;2-prop-2-enoyloxyethyl prop-2-enoate has a molecular weight of 368.38 g/mol, XLogP of 1.67, 11 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-prop-2-enoyloxybutyl prop-2-enoate;2-prop-2-enoyloxyethyl prop-2-enoate is sourced from PubChem (CID 162118365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).