16,16-dimethyl-1-oxacyclohexadec-12-en-2-one

C17H30O2 — CID 78023283

IUPAC16,16-dimethyl-1-oxacyclohexadec-12-en-2-one
SMILESCC1(C)CCC=CCCCCCCCCCC(=O)O1
InChIInChI=1S/C17H30O2/c1-17(2)15-13-11-9-7-5-3-4-6-8-10-12-14-16(18)19-17/h9,11H,3-8,10,12-15H2,1-2H3
InChIKeyKAJHFFSHDAAELF-UHFFFAOYSA-N
MW266.42 g/mol
LogP5.17
Rot. Bonds

About 16,16-dimethyl-1-oxacyclohexadec-12-en-2-one

16,16-dimethyl-1-oxacyclohexadec-12-en-2-one (PubChem CID 78023283) has the molecular formula C17H30O2 and a molecular weight of 266.42 g/mol. Its IUPAC name is 16,16-dimethyl-1-oxacyclohexadec-12-en-2-one.

Molecular Properties

Compound Name16,16-dimethyl-1-oxacyclohexadec-12-en-2-one
PubChem CID78023283
Molecular FormulaC17H30O2
Molecular Weight266.42 g/mol
Exact Mass266.22
IUPAC Name16,16-dimethyl-1-oxacyclohexadec-12-en-2-one
SMILESCC1(C)CCC=CCCCCCCCCCC(=O)O1
InChIInChI=1S/C17H30O2/c1-17(2)15-13-11-9-7-5-3-4-6-8-10-12-14-16(18)19-17/h9,11H,3-8,10,12-15H2,1-2H3
InChIKeyKAJHFFSHDAAELF-UHFFFAOYSA-N
XLogP5.17
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500266.42
LogP ≤ 55.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

15,15,17,17,18,18-hexamethyl-1-oxacyclooctadec-13-en-2-one
CID 123798479
(14Z)-1-oxacyclooctadec-14-ene-2,18-dione
CID 156873588
(10E)-1-oxacyclotridec-10-en-2-one
CID 14539994
(10Z)-1-oxacycloheptadec-10-en-2-one
CID 5355293
1-oxacyclohexadec-10-en-2-one
CID 72833343
(9Z)-1-oxacyclotetradec-9-en-2-one
CID 102124456
(11Z)-1-oxacyclooctadec-11-en-2-one
CID 146509910
1-oxacyclododec-9-en-2-one
CID 86140369
(17E)-1,7-dioxacycloheptacos-17-ene-8,27-dione
CID 71658007
(11E)-1-oxacyclohexadec-11-en-2-one
CID 11107424
1-oxacycloundec-8-ene-2,11-dione
CID 175246292
(7Z,11Z)-1-oxacycloheptadeca-7,11-dien-2-one
CID 171904779

Frequently Asked Questions

What is the IUPAC name of 16,16-dimethyl-1-oxacyclohexadec-12-en-2-one?
The IUPAC name of 16,16-dimethyl-1-oxacyclohexadec-12-en-2-one (CID 78023283) is 16,16-dimethyl-1-oxacyclohexadec-12-en-2-one.
What is the SMILES notation for 16,16-dimethyl-1-oxacyclohexadec-12-en-2-one?
The canonical SMILES for 16,16-dimethyl-1-oxacyclohexadec-12-en-2-one is CC1(C)CCC=CCCCCCCCCCC(=O)O1.
What is the InChIKey of 16,16-dimethyl-1-oxacyclohexadec-12-en-2-one?
The InChIKey is KAJHFFSHDAAELF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30O2/c1-17(2)15-13-11-9-7-5-3-4-6-8-10-12-14-16(18)19-17/h9,11H,3-8,10,12-15H2,1-2H3.
What are the key properties of 16,16-dimethyl-1-oxacyclohexadec-12-en-2-one?
16,16-dimethyl-1-oxacyclohexadec-12-en-2-one has a molecular weight of 266.42 g/mol, XLogP of 5.17, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 16,16-dimethyl-1-oxacyclohexadec-12-en-2-one is sourced from PubChem (CID 78023283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).