1-(8-oxabicyclo[3.2.1]octan-3-yl)undec-10-en-1-one

C18H30O2 — CID 171941663

IUPAC1-(8-oxabicyclo[3.2.1]octan-3-yl)undec-10-en-1-one
SMILESC=CCCCCCCCCC(=O)C1CC2CCC(C1)O2
InChIInChI=1S/C18H30O2/c1-2-3-4-5-6-7-8-9-10-18(19)15-13-16-11-12-17(14-15)20-16/h2,15-17H,1,3-14H2
InChIKeyGVBADLPDMXNHOW-UHFFFAOYSA-N
MW278.44 g/mol
LogP4.82
Rot. Bonds10

About 1-(8-oxabicyclo[3.2.1]octan-3-yl)undec-10-en-1-one

1-(8-oxabicyclo[3.2.1]octan-3-yl)undec-10-en-1-one (PubChem CID 171941663) has the molecular formula C18H30O2 and a molecular weight of 278.44 g/mol. Its IUPAC name is 1-(8-oxabicyclo[3.2.1]octan-3-yl)undec-10-en-1-one.

Molecular Properties

Compound Name1-(8-oxabicyclo[3.2.1]octan-3-yl)undec-10-en-1-one
PubChem CID171941663
Molecular FormulaC18H30O2
Molecular Weight278.44 g/mol
Exact Mass278.22
IUPAC Name1-(8-oxabicyclo[3.2.1]octan-3-yl)undec-10-en-1-one
SMILESC=CCCCCCCCCC(=O)C1CC2CCC(C1)O2
InChIInChI=1S/C18H30O2/c1-2-3-4-5-6-7-8-9-10-18(19)15-13-16-11-12-17(14-15)20-16/h2,15-17H,1,3-14H2
InChIKeyGVBADLPDMXNHOW-UHFFFAOYSA-N
XLogP4.82
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.44
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(8-oxo-8λ4-thiabicyclo[3.2.1]octan-3-yl)dodec-11-en-1-one
CID 171948467
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CID 107008260
1-(9-oxo-9λ4-thiabicyclo[3.3.1]nonan-3-yl)non-8-en-1-one
CID 171945402
1-(9-azabicyclo[3.3.1]nonan-3-yl)hept-6-en-1-one
CID 171937877
5-methyl-1-(8-oxabicyclo[3.2.1]octan-3-yl)hexan-1-one
CID 171937897
1-(oxan-4-yl)hex-5-en-1-one
CID 65329267
4-(2-methoxyethoxy)-1-(8-oxabicyclo[3.2.1]octan-3-yl)butan-1-one
CID 171945317
1-piperidin-3-yloct-7-en-1-one
CID 107010785
tricosa-1,22-dien-12-one
CID 86210796
4-hexadec-15-enoylazepan-2-one
CID 67914860
tert-butyl 3-dec-9-enoyl-9-azabicyclo[3.3.1]nonane-9-carboxylate
CID 171946046
1-(azepan-2-yl)oct-7-en-1-one
CID 107010905

Frequently Asked Questions

What is the IUPAC name of 1-(8-oxabicyclo[3.2.1]octan-3-yl)undec-10-en-1-one?
The IUPAC name of 1-(8-oxabicyclo[3.2.1]octan-3-yl)undec-10-en-1-one (CID 171941663) is 1-(8-oxabicyclo[3.2.1]octan-3-yl)undec-10-en-1-one.
What is the SMILES notation for 1-(8-oxabicyclo[3.2.1]octan-3-yl)undec-10-en-1-one?
The canonical SMILES for 1-(8-oxabicyclo[3.2.1]octan-3-yl)undec-10-en-1-one is C=CCCCCCCCCC(=O)C1CC2CCC(C1)O2.
What is the InChIKey of 1-(8-oxabicyclo[3.2.1]octan-3-yl)undec-10-en-1-one?
The InChIKey is GVBADLPDMXNHOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30O2/c1-2-3-4-5-6-7-8-9-10-18(19)15-13-16-11-12-17(14-15)20-16/h2,15-17H,1,3-14H2.
What are the key properties of 1-(8-oxabicyclo[3.2.1]octan-3-yl)undec-10-en-1-one?
1-(8-oxabicyclo[3.2.1]octan-3-yl)undec-10-en-1-one has a molecular weight of 278.44 g/mol, XLogP of 4.82, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(8-oxabicyclo[3.2.1]octan-3-yl)undec-10-en-1-one is sourced from PubChem (CID 171941663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).