9-methyl-1,8-dioxacyclohexadecane-2,7-dione

C15H26O4 — CID 67348621

IUPAC9-methyl-1,8-dioxacyclohexadecane-2,7-dione
SMILESCC1CCCCCCCOC(=O)CCCCC(=O)O1
InChIInChI=1S/C15H26O4/c1-13-9-5-3-2-4-8-12-18-14(16)10-6-7-11-15(17)19-13/h13H,2-12H2,1H3
InChIKeyKQBRHXWVQLOFFQ-UHFFFAOYSA-N
MW270.37 g/mol
LogP3.38
Rot. Bonds

About 9-methyl-1,8-dioxacyclohexadecane-2,7-dione

9-methyl-1,8-dioxacyclohexadecane-2,7-dione (PubChem CID 67348621) has the molecular formula C15H26O4 and a molecular weight of 270.37 g/mol. Its IUPAC name is 9-methyl-1,8-dioxacyclohexadecane-2,7-dione.

Molecular Properties

Compound Name9-methyl-1,8-dioxacyclohexadecane-2,7-dione
PubChem CID67348621
Molecular FormulaC15H26O4
Molecular Weight270.37 g/mol
Exact Mass270.18
IUPAC Name9-methyl-1,8-dioxacyclohexadecane-2,7-dione
SMILESCC1CCCCCCCOC(=O)CCCCC(=O)O1
InChIInChI=1S/C15H26O4/c1-13-9-5-3-2-4-8-12-18-14(16)10-6-7-11-15(17)19-13/h13H,2-12H2,1H3
InChIKeyKQBRHXWVQLOFFQ-UHFFFAOYSA-N
XLogP3.38
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 167589650
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(16R)-16-methyl-oxacyclohexadecan-2-one
CID 10978020
(14R)-14-methyl-oxacyclotetradecan-2-one
CID 11009676
6-methyloxan-2-one
CID 160564586
11,25,39-trimethyl-1,15,29-trioxacyclodotetracontane-2,16,30-trione
CID 18738133
1,8-dioxacyclopentadecane-2,7-dione
CID 172688052
1,6-dioxacyclotridecane-7,13-dione
CID 70450916
1,11-dioxacycloicosane-2,12-dione
CID 15642894
2-methyl-1,4-dioxacyclooctadecane-5,18-dione
CID 18006200
(2R)-2-methyl-1,4-dioxacyclotetradecane-5,14-dione
CID 7075077
6-methyloxan-2-one;5-methyloxolan-2-one
CID 142135496

Frequently Asked Questions

What is the IUPAC name of 9-methyl-1,8-dioxacyclohexadecane-2,7-dione?
The IUPAC name of 9-methyl-1,8-dioxacyclohexadecane-2,7-dione (CID 67348621) is 9-methyl-1,8-dioxacyclohexadecane-2,7-dione.
What is the SMILES notation for 9-methyl-1,8-dioxacyclohexadecane-2,7-dione?
The canonical SMILES for 9-methyl-1,8-dioxacyclohexadecane-2,7-dione is CC1CCCCCCCOC(=O)CCCCC(=O)O1.
What is the InChIKey of 9-methyl-1,8-dioxacyclohexadecane-2,7-dione?
The InChIKey is KQBRHXWVQLOFFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26O4/c1-13-9-5-3-2-4-8-12-18-14(16)10-6-7-11-15(17)19-13/h13H,2-12H2,1H3.
What are the key properties of 9-methyl-1,8-dioxacyclohexadecane-2,7-dione?
9-methyl-1,8-dioxacyclohexadecane-2,7-dione has a molecular weight of 270.37 g/mol, XLogP of 3.38, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methyl-1,8-dioxacyclohexadecane-2,7-dione is sourced from PubChem (CID 67348621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).