(11Z)-1,6-dioxacyclohexadec-11-ene-7,16-dione

C14H22O4 — CID 10890455

IUPAC(11Z)-1,6-dioxacyclohexadec-11-ene-7,16-dione
SMILESO=C1CCC/C=C\CCCC(=O)OCCCCO1
InChIInChI=1S/C14H22O4/c15-13-9-5-3-1-2-4-6-10-14(16)18-12-8-7-11-17-13/h1-2H,3-12H2/b2-1-
InChIKeyYXWCCVOGIXIHCU-UPHRSURJSA-N
MW254.33 g/mol
LogP2.76
Rot. Bonds

About (11Z)-1,6-dioxacyclohexadec-11-ene-7,16-dione

(11Z)-1,6-dioxacyclohexadec-11-ene-7,16-dione (PubChem CID 10890455) has the molecular formula C14H22O4 and a molecular weight of 254.33 g/mol. Its IUPAC name is (11Z)-1,6-dioxacyclohexadec-11-ene-7,16-dione.

Molecular Properties

Compound Name(11Z)-1,6-dioxacyclohexadec-11-ene-7,16-dione
PubChem CID10890455
Molecular FormulaC14H22O4
Molecular Weight254.33 g/mol
Exact Mass254.15
IUPAC Name(11Z)-1,6-dioxacyclohexadec-11-ene-7,16-dione
SMILESO=C1CCC/C=C\CCCC(=O)OCCCCO1
InChIInChI=1S/C14H22O4/c15-13-9-5-3-1-2-4-6-10-14(16)18-12-8-7-11-17-13/h1-2H,3-12H2/b2-1-
InChIKeyYXWCCVOGIXIHCU-UPHRSURJSA-N
XLogP2.76
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-oxacycloundec-6-en-2-one
CID 77491444
(6Z)-1-oxacyclotetradec-6-en-2-one
CID 102124447
(6E)-1-oxacyclohexadec-6-en-2-one
CID 67592282
2,3,4,7,8,9-hexahydrooxecin-10-one
CID 71335147
(10Z)-1-oxacycloheptadec-10-en-2-one
CID 5355293
(9Z)-1-oxacyclotetradec-9-en-2-one
CID 102124456
(11Z)-1-oxacyclooctadec-11-en-2-one
CID 146509910
1-oxacyclohexadec-10-en-2-one
CID 72833343
(17E)-1,7-dioxacycloheptacos-17-ene-8,27-dione
CID 71658007
(11E)-1-oxacyclohexadec-11-en-2-one
CID 11107424
(7Z,11Z)-1-oxacycloheptadeca-7,11-dien-2-one
CID 171904779
(12E)-1,6-dioxacycloheptadec-12-en-7-one
CID 70037040

Frequently Asked Questions

What is the IUPAC name of (11Z)-1,6-dioxacyclohexadec-11-ene-7,16-dione?
The IUPAC name of (11Z)-1,6-dioxacyclohexadec-11-ene-7,16-dione (CID 10890455) is (11Z)-1,6-dioxacyclohexadec-11-ene-7,16-dione.
What is the SMILES notation for (11Z)-1,6-dioxacyclohexadec-11-ene-7,16-dione?
The canonical SMILES for (11Z)-1,6-dioxacyclohexadec-11-ene-7,16-dione is O=C1CCC/C=C\CCCC(=O)OCCCCO1.
What is the InChIKey of (11Z)-1,6-dioxacyclohexadec-11-ene-7,16-dione?
The InChIKey is YXWCCVOGIXIHCU-UPHRSURJSA-N. The full InChI is InChI=1S/C14H22O4/c15-13-9-5-3-1-2-4-6-10-14(16)18-12-8-7-11-17-13/h1-2H,3-12H2/b2-1-.
What are the key properties of (11Z)-1,6-dioxacyclohexadec-11-ene-7,16-dione?
(11Z)-1,6-dioxacyclohexadec-11-ene-7,16-dione has a molecular weight of 254.33 g/mol, XLogP of 2.76, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (11Z)-1,6-dioxacyclohexadec-11-ene-7,16-dione is sourced from PubChem (CID 10890455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).