1-(2-undecyl-2,3-dihydropyran-6-ylidene)propan-2-one

C19H32O2 — CID 162818843

IUPAC1-(2-undecyl-2,3-dihydropyran-6-ylidene)propan-2-one
SMILESCCCCCCCCCCCC1CC=CC(=CC(C)=O)O1
InChIInChI=1S/C19H32O2/c1-3-4-5-6-7-8-9-10-11-13-18-14-12-15-19(21-18)16-17(2)20/h12,15-16,18H,3-11,13-14H2,1-2H3
InChIKeyZDOQVHVFJATDRW-UHFFFAOYSA-N
MW292.46 g/mol
LogP5.73
Rot. Bonds11

About 1-(2-undecyl-2,3-dihydropyran-6-ylidene)propan-2-one

1-(2-undecyl-2,3-dihydropyran-6-ylidene)propan-2-one (PubChem CID 162818843) has the molecular formula C19H32O2 and a molecular weight of 292.46 g/mol. Its IUPAC name is 1-(2-undecyl-2,3-dihydropyran-6-ylidene)propan-2-one.

Molecular Properties

Compound Name1-(2-undecyl-2,3-dihydropyran-6-ylidene)propan-2-one
PubChem CID162818843
Molecular FormulaC19H32O2
Molecular Weight292.46 g/mol
Exact Mass292.24
IUPAC Name1-(2-undecyl-2,3-dihydropyran-6-ylidene)propan-2-one
SMILESCCCCCCCCCCCC1CC=CC(=CC(C)=O)O1
InChIInChI=1S/C19H32O2/c1-3-4-5-6-7-8-9-10-11-13-18-14-12-15-19(21-18)16-17(2)20/h12,15-16,18H,3-11,13-14H2,1-2H3
InChIKeyZDOQVHVFJATDRW-UHFFFAOYSA-N
XLogP5.73
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500292.46
LogP ≤ 55.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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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Frequently Asked Questions

What is the IUPAC name of 1-(2-undecyl-2,3-dihydropyran-6-ylidene)propan-2-one?
The IUPAC name of 1-(2-undecyl-2,3-dihydropyran-6-ylidene)propan-2-one (CID 162818843) is 1-(2-undecyl-2,3-dihydropyran-6-ylidene)propan-2-one.
What is the SMILES notation for 1-(2-undecyl-2,3-dihydropyran-6-ylidene)propan-2-one?
The canonical SMILES for 1-(2-undecyl-2,3-dihydropyran-6-ylidene)propan-2-one is CCCCCCCCCCCC1CC=CC(=CC(C)=O)O1.
What is the InChIKey of 1-(2-undecyl-2,3-dihydropyran-6-ylidene)propan-2-one?
The InChIKey is ZDOQVHVFJATDRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32O2/c1-3-4-5-6-7-8-9-10-11-13-18-14-12-15-19(21-18)16-17(2)20/h12,15-16,18H,3-11,13-14H2,1-2H3.
What are the key properties of 1-(2-undecyl-2,3-dihydropyran-6-ylidene)propan-2-one?
1-(2-undecyl-2,3-dihydropyran-6-ylidene)propan-2-one has a molecular weight of 292.46 g/mol, XLogP of 5.73, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-undecyl-2,3-dihydropyran-6-ylidene)propan-2-one is sourced from PubChem (CID 162818843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).