1-(oxolan-2-yl)undecan-4-one

C15H28O2 — CID 114976697

IUPAC1-(oxolan-2-yl)undecan-4-one
SMILESCCCCCCCC(=O)CCCC1CCCO1
InChIInChI=1S/C15H28O2/c1-2-3-4-5-6-9-14(16)10-7-11-15-12-8-13-17-15/h15H,2-13H2,1H3
InChIKeyRKRKLQBTIDFKSM-UHFFFAOYSA-N
MW240.39 g/mol
LogP4.27
Rot. Bonds10

About 1-(oxolan-2-yl)undecan-4-one

1-(oxolan-2-yl)undecan-4-one (PubChem CID 114976697) has the molecular formula C15H28O2 and a molecular weight of 240.39 g/mol. Its IUPAC name is 1-(oxolan-2-yl)undecan-4-one.

Molecular Properties

Compound Name1-(oxolan-2-yl)undecan-4-one
PubChem CID114976697
Molecular FormulaC15H28O2
Molecular Weight240.39 g/mol
Exact Mass240.21
IUPAC Name1-(oxolan-2-yl)undecan-4-one
SMILESCCCCCCCC(=O)CCCC1CCCO1
InChIInChI=1S/C15H28O2/c1-2-3-4-5-6-9-14(16)10-7-11-15-12-8-13-17-15/h15H,2-13H2,1H3
InChIKeyRKRKLQBTIDFKSM-UHFFFAOYSA-N
XLogP4.27
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-tetradecyloxolane
CID 10683364
3-[(2S)-oxolan-2-yl]propyl octanoate
CID 98092335
3-[(2R)-oxolan-2-yl]propyl nonanoate
CID 98549345
1-chloro-7-(oxolan-2-yl)heptan-4-one
CID 66044442
2-hexyloxolane;oxolane
CID 173130151
1-methylsulfonyl-5-(oxolan-2-yl)pentan-2-one
CID 115646806
7-(oxolan-2-yl)heptanoic acid
CID 174977398
hexyl 3-(oxolan-2-yl)propanoate
CID 78876896
4-(oxolan-2-yl)-1-(4-propylcyclohexyl)butan-1-one
CID 65425226
1,5-bis[(2S)-oxolan-2-yl]pentan-3-yl dodecanoate
CID 98506341
7-(oxolan-2-yl)hept-1-en-4-one
CID 116659572
1-cyclopentylhenicosan-4-one
CID 521722

Frequently Asked Questions

What is the IUPAC name of 1-(oxolan-2-yl)undecan-4-one?
The IUPAC name of 1-(oxolan-2-yl)undecan-4-one (CID 114976697) is 1-(oxolan-2-yl)undecan-4-one.
What is the SMILES notation for 1-(oxolan-2-yl)undecan-4-one?
The canonical SMILES for 1-(oxolan-2-yl)undecan-4-one is CCCCCCCC(=O)CCCC1CCCO1.
What is the InChIKey of 1-(oxolan-2-yl)undecan-4-one?
The InChIKey is RKRKLQBTIDFKSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28O2/c1-2-3-4-5-6-9-14(16)10-7-11-15-12-8-13-17-15/h15H,2-13H2,1H3.
What are the key properties of 1-(oxolan-2-yl)undecan-4-one?
1-(oxolan-2-yl)undecan-4-one has a molecular weight of 240.39 g/mol, XLogP of 4.27, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxolan-2-yl)undecan-4-one is sourced from PubChem (CID 114976697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).