1-nonan-4-yloxypropan-2-yl prop-2-enoate

C15H28O3 — CID 87898920

IUPAC1-nonan-4-yloxypropan-2-yl prop-2-enoate
SMILESC=CC(=O)OC(C)COC(CCC)CCCCC
InChIInChI=1S/C15H28O3/c1-5-8-9-11-14(10-6-2)17-12-13(4)18-15(16)7-3/h7,13-14H,3,5-6,8-12H2,1-2,4H3
InChIKeyIBUSFOPOTNFVHV-UHFFFAOYSA-N
MW256.39 g/mol
LogP3.87
Rot. Bonds11

About 1-nonan-4-yloxypropan-2-yl prop-2-enoate

1-nonan-4-yloxypropan-2-yl prop-2-enoate (PubChem CID 87898920) has the molecular formula C15H28O3 and a molecular weight of 256.39 g/mol. Its IUPAC name is 1-nonan-4-yloxypropan-2-yl prop-2-enoate.

Molecular Properties

Compound Name1-nonan-4-yloxypropan-2-yl prop-2-enoate
PubChem CID87898920
Molecular FormulaC15H28O3
Molecular Weight256.39 g/mol
Exact Mass256.20
IUPAC Name1-nonan-4-yloxypropan-2-yl prop-2-enoate
SMILESC=CC(=O)OC(C)COC(CCC)CCCCC
InChIInChI=1S/C15H28O3/c1-5-8-9-11-14(10-6-2)17-12-13(4)18-15(16)7-3/h7,13-14H,3,5-6,8-12H2,1-2,4H3
InChIKeyIBUSFOPOTNFVHV-UHFFFAOYSA-N
XLogP3.87
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

pentadecan-4-yl prop-2-enoate
CID 543287
4-prop-2-enoyloxynonan-2-yl prop-2-enoate
CID 102116709
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
2-prop-2-enoyloxyheptyl prop-2-enoate
CID 123616440
1-[1-[1-(1-butoxypropan-2-yloxy)propan-2-yloxy]propan-2-yloxy]propan-2-yl prop-2-enoate
CID 21458420
dodecan-3-yl prop-2-enoate
CID 543279
ethanol;octan-3-yl prop-2-enoate
CID 158914224
octan-3-yl prop-2-enoate;prop-2-enoic acid
CID 87087074
nonadec-1-en-4-yl prop-2-enoate
CID 11393552

Frequently Asked Questions

What is the IUPAC name of 1-nonan-4-yloxypropan-2-yl prop-2-enoate?
The IUPAC name of 1-nonan-4-yloxypropan-2-yl prop-2-enoate (CID 87898920) is 1-nonan-4-yloxypropan-2-yl prop-2-enoate.
What is the SMILES notation for 1-nonan-4-yloxypropan-2-yl prop-2-enoate?
The canonical SMILES for 1-nonan-4-yloxypropan-2-yl prop-2-enoate is C=CC(=O)OC(C)COC(CCC)CCCCC.
What is the InChIKey of 1-nonan-4-yloxypropan-2-yl prop-2-enoate?
The InChIKey is IBUSFOPOTNFVHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28O3/c1-5-8-9-11-14(10-6-2)17-12-13(4)18-15(16)7-3/h7,13-14H,3,5-6,8-12H2,1-2,4H3.
What are the key properties of 1-nonan-4-yloxypropan-2-yl prop-2-enoate?
1-nonan-4-yloxypropan-2-yl prop-2-enoate has a molecular weight of 256.39 g/mol, XLogP of 3.87, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-nonan-4-yloxypropan-2-yl prop-2-enoate is sourced from PubChem (CID 87898920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).