4-prop-2-enoyloxynonan-2-yl prop-2-enoate

C15H24O4 — CID 102116709

IUPAC4-prop-2-enoyloxynonan-2-yl prop-2-enoate
SMILESC=CC(=O)OC(C)CC(CCCCC)OC(=O)C=C
InChIInChI=1S/C15H24O4/c1-5-8-9-10-13(19-15(17)7-3)11-12(4)18-14(16)6-2/h6-7,12-13H,2-3,5,8-11H2,1,4H3
InChIKeyRWUJPPNTUGZUPK-UHFFFAOYSA-N
MW268.35 g/mol
LogP3.17
Rot. Bonds10

About 4-prop-2-enoyloxynonan-2-yl prop-2-enoate

4-prop-2-enoyloxynonan-2-yl prop-2-enoate (PubChem CID 102116709) has the molecular formula C15H24O4 and a molecular weight of 268.35 g/mol. Its IUPAC name is 4-prop-2-enoyloxynonan-2-yl prop-2-enoate.

Molecular Properties

Compound Name4-prop-2-enoyloxynonan-2-yl prop-2-enoate
PubChem CID102116709
Molecular FormulaC15H24O4
Molecular Weight268.35 g/mol
Exact Mass268.17
IUPAC Name4-prop-2-enoyloxynonan-2-yl prop-2-enoate
SMILESC=CC(=O)OC(C)CC(CCCCC)OC(=O)C=C
InChIInChI=1S/C15H24O4/c1-5-8-9-10-13(19-15(17)7-3)11-12(4)18-14(16)6-2/h6-7,12-13H,2-3,5,8-11H2,1,4H3
InChIKeyRWUJPPNTUGZUPK-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': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

heptadecan-8-yl prop-2-enoate
CID 121420657
octadecan-6-yl prop-2-enoate
CID 91523695
tridecan-5-yl prop-2-enoate
CID 141073146
[(3S)-octan-3-yl] prop-2-enoate
CID 93001261
pentadecan-4-yl prop-2-enoate
CID 543287
dodecan-3-yl prop-2-enoate
CID 543279
5-prop-2-enoyloxynonan-3-yl prop-2-enoate
CID 102116715
octan-3-yl prop-2-enoate;prop-2-enoic acid
CID 87087074
ethanol;octan-3-yl prop-2-enoate
CID 158914224
5-ethylhexadecan-7-yl prop-2-enoate
CID 150115534
1-nonan-4-yloxypropan-2-yl prop-2-enoate
CID 87898920
2-prop-2-enoyloxyheptyl prop-2-enoate
CID 123616440

Frequently Asked Questions

What is the IUPAC name of 4-prop-2-enoyloxynonan-2-yl prop-2-enoate?
The IUPAC name of 4-prop-2-enoyloxynonan-2-yl prop-2-enoate (CID 102116709) is 4-prop-2-enoyloxynonan-2-yl prop-2-enoate.
What is the SMILES notation for 4-prop-2-enoyloxynonan-2-yl prop-2-enoate?
The canonical SMILES for 4-prop-2-enoyloxynonan-2-yl prop-2-enoate is C=CC(=O)OC(C)CC(CCCCC)OC(=O)C=C.
What is the InChIKey of 4-prop-2-enoyloxynonan-2-yl prop-2-enoate?
The InChIKey is RWUJPPNTUGZUPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O4/c1-5-8-9-10-13(19-15(17)7-3)11-12(4)18-14(16)6-2/h6-7,12-13H,2-3,5,8-11H2,1,4H3.
What are the key properties of 4-prop-2-enoyloxynonan-2-yl prop-2-enoate?
4-prop-2-enoyloxynonan-2-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 4-prop-2-enoyloxynonan-2-yl prop-2-enoate is sourced from PubChem (CID 102116709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).