(3E,10Z)-1-oxacyclotrideca-3,10-diene-2,7-dione

C12H16O3 — CID 10965716

IUPAC(3E,10Z)-1-oxacyclotrideca-3,10-diene-2,7-dione
SMILESO=C1CC/C=C\CCOC(=O)/C=C/CC1
InChIInChI=1S/C12H16O3/c13-11-7-3-1-2-6-10-15-12(14)9-5-4-8-11/h1-2,5,9H,3-4,6-8,10H2/b2-1-,9-5+
InChIKeyQPFMJNUWOHGONF-RLKBUKNLSA-N
MW208.26 g/mol
LogP2.18
Rot. Bonds

About (3E,10Z)-1-oxacyclotrideca-3,10-diene-2,7-dione

(3E,10Z)-1-oxacyclotrideca-3,10-diene-2,7-dione (PubChem CID 10965716) has the molecular formula C12H16O3 and a molecular weight of 208.26 g/mol. Its IUPAC name is (3E,10Z)-1-oxacyclotrideca-3,10-diene-2,7-dione.

Molecular Properties

Compound Name(3E,10Z)-1-oxacyclotrideca-3,10-diene-2,7-dione
PubChem CID10965716
Molecular FormulaC12H16O3
Molecular Weight208.26 g/mol
Exact Mass208.11
IUPAC Name(3E,10Z)-1-oxacyclotrideca-3,10-diene-2,7-dione
SMILESO=C1CC/C=C\CCOC(=O)/C=C/CC1
InChIInChI=1S/C12H16O3/c13-11-7-3-1-2-6-10-15-12(14)9-5-4-8-11/h1-2,5,9H,3-4,6-8,10H2/b2-1-,9-5+
InChIKeyQPFMJNUWOHGONF-RLKBUKNLSA-N
XLogP2.18
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Ethyl 2-decenoate, (2E)-
CID 5463904
Ethyl 2-octenoate, (2E)-
CID 5364399
2-Dodecenoic acid, ethyl ester, (2E)-
CID 11287580
Ethyl (2Z)-oct-2-enoate
CID 5352768
Ethyl (E)-2-octenoate
CID 23832
Ethyl (2E,6Z)-dodeca-2,6-dienoate
CID 6438206
2-Nonenoic acid, ethyl ester
CID 5364389
Decenoic acid, 5-oxo-, methyl ester
CID 6441354
Ethyl (E)-2-nonenoate
CID 12277543
(2S)-2-[(2E,5E)-4-oxotricosa-2,5-dienyl]-2,3-dihydropyran-6-one
CID 76311042
(2R)-2-[(2E,5E)-4-oxotricosa-2,5-dienyl]-2,3-dihydropyran-6-one
CID 76314671
(E)-2-Hexenyl (E)-2-octenoate
CID 5364537

Frequently Asked Questions

What is the IUPAC name of (3E,10Z)-1-oxacyclotrideca-3,10-diene-2,7-dione?
The IUPAC name of (3E,10Z)-1-oxacyclotrideca-3,10-diene-2,7-dione (CID 10965716) is (3E,10Z)-1-oxacyclotrideca-3,10-diene-2,7-dione.
What is the SMILES notation for (3E,10Z)-1-oxacyclotrideca-3,10-diene-2,7-dione?
The canonical SMILES for (3E,10Z)-1-oxacyclotrideca-3,10-diene-2,7-dione is O=C1CC/C=C\CCOC(=O)/C=C/CC1.
What is the InChIKey of (3E,10Z)-1-oxacyclotrideca-3,10-diene-2,7-dione?
The InChIKey is QPFMJNUWOHGONF-RLKBUKNLSA-N. The full InChI is InChI=1S/C12H16O3/c13-11-7-3-1-2-6-10-15-12(14)9-5-4-8-11/h1-2,5,9H,3-4,6-8,10H2/b2-1-,9-5+.
What are the key properties of (3E,10Z)-1-oxacyclotrideca-3,10-diene-2,7-dione?
(3E,10Z)-1-oxacyclotrideca-3,10-diene-2,7-dione has a molecular weight of 208.26 g/mol, XLogP of 2.18, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,10Z)-1-oxacyclotrideca-3,10-diene-2,7-dione is sourced from PubChem (CID 10965716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).