3-[(E)-10-methylundec-1-enyl]oxolane-2,5-dione

C16H26O3 — CID 6452460

IUPAC3-[(E)-10-methylundec-1-enyl]oxolane-2,5-dione
SMILESCC(C)CCCCCCC/C=C/C1CC(=O)OC1=O
InChIInChI=1S/C16H26O3/c1-13(2)10-8-6-4-3-5-7-9-11-14-12-15(17)19-16(14)18/h9,11,13-14H,3-8,10,12H2,1-2H3/b11-9+
InChIKeyMFZOUWVHEQAVLP-PKNBQFBNSA-N
MW266.38 g/mol
LogP4.02
Rot. Bonds9

About 3-[(E)-10-methylundec-1-enyl]oxolane-2,5-dione

3-[(E)-10-methylundec-1-enyl]oxolane-2,5-dione (PubChem CID 6452460) has the molecular formula C16H26O3 and a molecular weight of 266.38 g/mol. Its IUPAC name is 3-[(E)-10-methylundec-1-enyl]oxolane-2,5-dione.

Molecular Properties

Compound Name3-[(E)-10-methylundec-1-enyl]oxolane-2,5-dione
PubChem CID6452460
Molecular FormulaC16H26O3
Molecular Weight266.38 g/mol
Exact Mass266.19
IUPAC Name3-[(E)-10-methylundec-1-enyl]oxolane-2,5-dione
SMILESCC(C)CCCCCCC/C=C/C1CC(=O)OC1=O
InChIInChI=1S/C16H26O3/c1-13(2)10-8-6-4-3-5-7-9-11-14-12-15(17)19-16(14)18/h9,11,13-14H,3-8,10,12H2,1-2H3/b11-9+
InChIKeyMFZOUWVHEQAVLP-PKNBQFBNSA-N
XLogP4.02
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.38
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

3-[(E)-dodec-1-enyl]oxolane-2,5-dione;3-[(E)-undec-1-enyl]oxolane-2,5-dione
CID 87423856
(3S)-3-[(E)-octadec-1-enyl]oxolane-2,5-dione
CID 98045012
3-oct-1-enyloxolane-2,5-dione
CID 24442
sodium;3-dodec-1-enyloxolane-2,5-dione;hydride
CID 174902776
3-dodec-1-enyloxolane-2,5-dione;furan-2,5-dione
CID 174675000
acetyl acetate;3-oct-1-enyloxolane-2,5-dione
CID 173015921
4-docos-1-enyl-5-sulfanylideneoxolan-2-one
CID 139774463
3-icos-1-enyloxane-2,6-dione
CID 54346397
3-hexadec-1-enyloxane-2,6-dione
CID 54115063
3-(3-methylhex-1-enyl)oxolane-2,5-dione
CID 54208879
3-[(5E)-6-methylocta-1,5-dienyl]oxolane-2,5-dione
CID 88583006
3-oct-1-enyloxolane-2,5-dione;3-phenylprop-2-enal
CID 175584644

Frequently Asked Questions

What is the IUPAC name of 3-[(E)-10-methylundec-1-enyl]oxolane-2,5-dione?
The IUPAC name of 3-[(E)-10-methylundec-1-enyl]oxolane-2,5-dione (CID 6452460) is 3-[(E)-10-methylundec-1-enyl]oxolane-2,5-dione.
What is the SMILES notation for 3-[(E)-10-methylundec-1-enyl]oxolane-2,5-dione?
The canonical SMILES for 3-[(E)-10-methylundec-1-enyl]oxolane-2,5-dione is CC(C)CCCCCCC/C=C/C1CC(=O)OC1=O.
What is the InChIKey of 3-[(E)-10-methylundec-1-enyl]oxolane-2,5-dione?
The InChIKey is MFZOUWVHEQAVLP-PKNBQFBNSA-N. The full InChI is InChI=1S/C16H26O3/c1-13(2)10-8-6-4-3-5-7-9-11-14-12-15(17)19-16(14)18/h9,11,13-14H,3-8,10,12H2,1-2H3/b11-9+.
What are the key properties of 3-[(E)-10-methylundec-1-enyl]oxolane-2,5-dione?
3-[(E)-10-methylundec-1-enyl]oxolane-2,5-dione has a molecular weight of 266.38 g/mol, XLogP of 4.02, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-10-methylundec-1-enyl]oxolane-2,5-dione is sourced from PubChem (CID 6452460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).