5-prop-2-enoyloxynonan-3-yl prop-2-enoate

C15H24O4 — CID 102116715

IUPAC5-prop-2-enoyloxynonan-3-yl prop-2-enoate
SMILESC=CC(=O)OC(CC)CC(CCCC)OC(=O)C=C
InChIInChI=1S/C15H24O4/c1-5-9-10-13(19-15(17)8-4)11-12(6-2)18-14(16)7-3/h7-8,12-13H,3-6,9-11H2,1-2H3
InChIKeyPDKKPTUNFWHPON-UHFFFAOYSA-N
MW268.35 g/mol
LogP3.17
Rot. Bonds10

About 5-prop-2-enoyloxynonan-3-yl prop-2-enoate

5-prop-2-enoyloxynonan-3-yl prop-2-enoate (PubChem CID 102116715) has the molecular formula C15H24O4 and a molecular weight of 268.35 g/mol. Its IUPAC name is 5-prop-2-enoyloxynonan-3-yl prop-2-enoate.

Molecular Properties

Compound Name5-prop-2-enoyloxynonan-3-yl prop-2-enoate
PubChem CID102116715
Molecular FormulaC15H24O4
Molecular Weight268.35 g/mol
Exact Mass268.17
IUPAC Name5-prop-2-enoyloxynonan-3-yl prop-2-enoate
SMILESC=CC(=O)OC(CC)CC(CCCC)OC(=O)C=C
InChIInChI=1S/C15H24O4/c1-5-9-10-13(19-15(17)8-4)11-12(6-2)18-14(16)7-3/h7-8,12-13H,3-6,9-11H2,1-2H3
InChIKeyPDKKPTUNFWHPON-UHFFFAOYSA-N
XLogP3.17
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.35
LogP ≤ 53.17
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

Decyl acrylate
CID 16541
Tridecyl acrylate
CID 18316
Octyl acrylate
CID 17258
Heptyl acrylate
CID 17257
Lauryl acrylate
CID 75084
Nonyl acrylate
CID 75873
2-Propenoic acid, 1,1'-(1,10-decanediyl) ester
CID 83079
2-Propenoic acid, hexadecyl ester
CID 83410
Tetradecyl acrylate
CID 88984
Stearyl acrylate
CID 62552
Docosyl acrylate
CID 87565
2-Propenoic acid, 1,1'-(1,9-nonanediyl) ester
CID 9795378

Frequently Asked Questions

What is the IUPAC name of 5-prop-2-enoyloxynonan-3-yl prop-2-enoate?
The IUPAC name of 5-prop-2-enoyloxynonan-3-yl prop-2-enoate (CID 102116715) is 5-prop-2-enoyloxynonan-3-yl prop-2-enoate.
What is the SMILES notation for 5-prop-2-enoyloxynonan-3-yl prop-2-enoate?
The canonical SMILES for 5-prop-2-enoyloxynonan-3-yl prop-2-enoate is C=CC(=O)OC(CC)CC(CCCC)OC(=O)C=C.
What is the InChIKey of 5-prop-2-enoyloxynonan-3-yl prop-2-enoate?
The InChIKey is PDKKPTUNFWHPON-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O4/c1-5-9-10-13(19-15(17)8-4)11-12(6-2)18-14(16)7-3/h7-8,12-13H,3-6,9-11H2,1-2H3.
What are the key properties of 5-prop-2-enoyloxynonan-3-yl prop-2-enoate?
5-prop-2-enoyloxynonan-3-yl prop-2-enoate has a molecular weight of 268.35 g/mol, XLogP of 3.17, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-prop-2-enoyloxynonan-3-yl prop-2-enoate is sourced from PubChem (CID 102116715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).