3-(2-prop-2-enoyloxyethyl)hexyl prop-2-enoate

C14H22O4 — CID 19016961

IUPAC3-(2-prop-2-enoyloxyethyl)hexyl prop-2-enoate
SMILESC=CC(=O)OCCC(CCC)CCOC(=O)C=C
InChIInChI=1S/C14H22O4/c1-4-7-12(8-10-17-13(15)5-2)9-11-18-14(16)6-3/h5-6,12H,2-4,7-11H2,1H3
InChIKeyIAWSGRQOMVRPPS-UHFFFAOYSA-N
MW254.33 g/mol
LogP2.64
Rot. Bonds10

About 3-(2-prop-2-enoyloxyethyl)hexyl prop-2-enoate

3-(2-prop-2-enoyloxyethyl)hexyl prop-2-enoate (PubChem CID 19016961) has the molecular formula C14H22O4 and a molecular weight of 254.33 g/mol. Its IUPAC name is 3-(2-prop-2-enoyloxyethyl)hexyl prop-2-enoate.

Molecular Properties

Compound Name3-(2-prop-2-enoyloxyethyl)hexyl prop-2-enoate
PubChem CID19016961
Molecular FormulaC14H22O4
Molecular Weight254.33 g/mol
Exact Mass254.15
IUPAC Name3-(2-prop-2-enoyloxyethyl)hexyl prop-2-enoate
SMILESC=CC(=O)OCCC(CCC)CCOC(=O)C=C
InChIInChI=1S/C14H22O4/c1-4-7-12(8-10-17-13(15)5-2)9-11-18-14(16)6-3/h5-6,12H,2-4,7-11H2,1H3
InChIKeyIAWSGRQOMVRPPS-UHFFFAOYSA-N
XLogP2.64
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

3-hexylnonyl prop-2-enoate;4-nonyltridecyl prop-2-enoate;4-octyltridecyl prop-2-enoate;3-pentyldecyl prop-2-enoate
CID 159209362
3-chlorohexyl prop-2-enoate
CID 150301446
ethyl 2-methyl-4-prop-2-enoyloxybutanoate
CID 59157368
4-prop-2-enoyloxybutyl 5-oxo-3-propylhexanoate
CID 155215585
3-isocyanatohexyl prop-2-enoate
CID 88743681
1-prop-2-enoyloxyhexan-3-yl 2-methylprop-2-enoate
CID 57217151
decyl prop-2-enoate;dodecyl prop-2-enoate;3-methylbutyl prop-2-enoate;octadecyl prop-2-enoate;octyl prop-2-enoate
CID 175298158
6-methylnonyl prop-2-enoate
CID 21298968
3-hydroxyheptadecyl prop-2-enoate
CID 89438234
carbamic acid;propyl prop-2-enoate
CID 87571569
4-hydroxyoctyl prop-2-enoate
CID 142754995
tributyl(2-prop-2-enoyloxyethyl)phosphanium chloride
CID 11221390

Frequently Asked Questions

What is the IUPAC name of 3-(2-prop-2-enoyloxyethyl)hexyl prop-2-enoate?
The IUPAC name of 3-(2-prop-2-enoyloxyethyl)hexyl prop-2-enoate (CID 19016961) is 3-(2-prop-2-enoyloxyethyl)hexyl prop-2-enoate.
What is the SMILES notation for 3-(2-prop-2-enoyloxyethyl)hexyl prop-2-enoate?
The canonical SMILES for 3-(2-prop-2-enoyloxyethyl)hexyl prop-2-enoate is C=CC(=O)OCCC(CCC)CCOC(=O)C=C.
What is the InChIKey of 3-(2-prop-2-enoyloxyethyl)hexyl prop-2-enoate?
The InChIKey is IAWSGRQOMVRPPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O4/c1-4-7-12(8-10-17-13(15)5-2)9-11-18-14(16)6-3/h5-6,12H,2-4,7-11H2,1H3.
What are the key properties of 3-(2-prop-2-enoyloxyethyl)hexyl prop-2-enoate?
3-(2-prop-2-enoyloxyethyl)hexyl prop-2-enoate has a molecular weight of 254.33 g/mol, XLogP of 2.64, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-prop-2-enoyloxyethyl)hexyl prop-2-enoate is sourced from PubChem (CID 19016961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).