5-[(Z)-1-bromohept-1-enyl]oxolan-2-one

C11H17BrO2 — CID 11832179

IUPAC5-[(Z)-1-bromohept-1-enyl]oxolan-2-one
SMILESCCCCC/C=C(\Br)C1CCC(=O)O1
InChIInChI=1S/C11H17BrO2/c1-2-3-4-5-6-9(12)10-7-8-11(13)14-10/h6,10H,2-5,7-8H2,1H3/b9-6-
InChIKeyKNOTVOPIWIJNDE-TWGQIWQCSA-N
MW261.16 g/mol
LogP3.55
Rot. Bonds5

About 5-[(Z)-1-bromohept-1-enyl]oxolan-2-one

5-[(Z)-1-bromohept-1-enyl]oxolan-2-one (PubChem CID 11832179) has the molecular formula C11H17BrO2 and a molecular weight of 261.16 g/mol. Its IUPAC name is 5-[(Z)-1-bromohept-1-enyl]oxolan-2-one.

Molecular Properties

Compound Name5-[(Z)-1-bromohept-1-enyl]oxolan-2-one
PubChem CID11832179
Molecular FormulaC11H17BrO2
Molecular Weight261.16 g/mol
Exact Mass260.04
IUPAC Name5-[(Z)-1-bromohept-1-enyl]oxolan-2-one
SMILESCCCCC/C=C(\Br)C1CCC(=O)O1
InChIInChI=1S/C11H17BrO2/c1-2-3-4-5-6-9(12)10-7-8-11(13)14-10/h6,10H,2-5,7-8H2,1H3/b9-6-
InChIKeyKNOTVOPIWIJNDE-TWGQIWQCSA-N
XLogP3.55
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.16
LogP ≤ 53.55
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

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Buibuilactone
CID 56936043
(r,e)-Dodec-5-en-4-olide
CID 87786981
(Z)-Dodec-5-en-4-olide
CID 67469926
methyl 3-[(2R)-3-bromo-5-oxo-2H-furan-2-yl]propanoate
CID 51002842
(5R)-5-[(1E,3S)-10,10-dibromo-3-methoxydeca-1,9-dienyl]oxolan-2-one
CID 51002848
(5R)-5-[(1E,3R)-10,10-dibromo-3-methoxydeca-1,9-dienyl]oxolan-2-one
CID 51002891
(5S)-5-[(1E,3S)-10,10-dibromo-3-methoxydeca-1,9-dienyl]oxolan-2-one
CID 51002892
(5S)-5-[(1E,3R)-10,10-dibromo-3-methoxydeca-1,9-dienyl]oxolan-2-one
CID 51002946
(5S)-5-[(Z)-but-1-enyl]oxolan-2-one
CID 163092536
2(3H)-Furanone, 5-(1Z)-1-decenyldihydro-, (5R)-
CID 62877

Frequently Asked Questions

What is the IUPAC name of 5-[(Z)-1-bromohept-1-enyl]oxolan-2-one?
The IUPAC name of 5-[(Z)-1-bromohept-1-enyl]oxolan-2-one (CID 11832179) is 5-[(Z)-1-bromohept-1-enyl]oxolan-2-one.
What is the SMILES notation for 5-[(Z)-1-bromohept-1-enyl]oxolan-2-one?
The canonical SMILES for 5-[(Z)-1-bromohept-1-enyl]oxolan-2-one is CCCCC/C=C(\Br)C1CCC(=O)O1.
What is the InChIKey of 5-[(Z)-1-bromohept-1-enyl]oxolan-2-one?
The InChIKey is KNOTVOPIWIJNDE-TWGQIWQCSA-N. The full InChI is InChI=1S/C11H17BrO2/c1-2-3-4-5-6-9(12)10-7-8-11(13)14-10/h6,10H,2-5,7-8H2,1H3/b9-6-.
What are the key properties of 5-[(Z)-1-bromohept-1-enyl]oxolan-2-one?
5-[(Z)-1-bromohept-1-enyl]oxolan-2-one has a molecular weight of 261.16 g/mol, XLogP of 3.55, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(Z)-1-bromohept-1-enyl]oxolan-2-one is sourced from PubChem (CID 11832179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).