(11Z,13Z)-3,3,4-trimethyl-1-oxacyclohexadeca-11,13-diene-2,10-dione

C18H28O3 — CID 140874675

IUPAC(11Z,13Z)-3,3,4-trimethyl-1-oxacyclohexadeca-11,13-diene-2,10-dione
SMILESCC1CCCCCC(=O)/C=C\C=C/CCOC(=O)C1(C)C
InChIInChI=1S/C18H28O3/c1-15-11-7-6-9-13-16(19)12-8-4-5-10-14-21-17(20)18(15,2)3/h4-5,8,12,15H,6-7,9-11,13-14H2,1-3H3/b5-4-,12-8-
InChIKeyKLLCJLQZUXOZRE-FZMOPTLGSA-N
MW292.42 g/mol
LogP4.23
Rot. Bonds

About (11Z,13Z)-3,3,4-trimethyl-1-oxacyclohexadeca-11,13-diene-2,10-dione

(11Z,13Z)-3,3,4-trimethyl-1-oxacyclohexadeca-11,13-diene-2,10-dione (PubChem CID 140874675) has the molecular formula C18H28O3 and a molecular weight of 292.42 g/mol. Its IUPAC name is (11Z,13Z)-3,3,4-trimethyl-1-oxacyclohexadeca-11,13-diene-2,10-dione.

Molecular Properties

Compound Name(11Z,13Z)-3,3,4-trimethyl-1-oxacyclohexadeca-11,13-diene-2,10-dione
PubChem CID140874675
Molecular FormulaC18H28O3
Molecular Weight292.42 g/mol
Exact Mass292.20
IUPAC Name(11Z,13Z)-3,3,4-trimethyl-1-oxacyclohexadeca-11,13-diene-2,10-dione
SMILESCC1CCCCCC(=O)/C=C\C=C/CCOC(=O)C1(C)C
InChIInChI=1S/C18H28O3/c1-15-11-7-6-9-13-16(19)12-8-4-5-10-14-21-17(20)18(15,2)3/h4-5,8,12,15H,6-7,9-11,13-14H2,1-3H3/b5-4-,12-8-
InChIKeyKLLCJLQZUXOZRE-FZMOPTLGSA-N
XLogP4.23
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.42
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (11Z,13Z)-3,3,4-trimethyl-1-oxacyclohexadeca-11,13-diene-2,10-dione?
The IUPAC name of (11Z,13Z)-3,3,4-trimethyl-1-oxacyclohexadeca-11,13-diene-2,10-dione (CID 140874675) is (11Z,13Z)-3,3,4-trimethyl-1-oxacyclohexadeca-11,13-diene-2,10-dione.
What is the SMILES notation for (11Z,13Z)-3,3,4-trimethyl-1-oxacyclohexadeca-11,13-diene-2,10-dione?
The canonical SMILES for (11Z,13Z)-3,3,4-trimethyl-1-oxacyclohexadeca-11,13-diene-2,10-dione is CC1CCCCCC(=O)/C=C\C=C/CCOC(=O)C1(C)C.
What is the InChIKey of (11Z,13Z)-3,3,4-trimethyl-1-oxacyclohexadeca-11,13-diene-2,10-dione?
The InChIKey is KLLCJLQZUXOZRE-FZMOPTLGSA-N. The full InChI is InChI=1S/C18H28O3/c1-15-11-7-6-9-13-16(19)12-8-4-5-10-14-21-17(20)18(15,2)3/h4-5,8,12,15H,6-7,9-11,13-14H2,1-3H3/b5-4-,12-8-.
What are the key properties of (11Z,13Z)-3,3,4-trimethyl-1-oxacyclohexadeca-11,13-diene-2,10-dione?
(11Z,13Z)-3,3,4-trimethyl-1-oxacyclohexadeca-11,13-diene-2,10-dione has a molecular weight of 292.42 g/mol, XLogP of 4.23, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (11Z,13Z)-3,3,4-trimethyl-1-oxacyclohexadeca-11,13-diene-2,10-dione is sourced from PubChem (CID 140874675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).