(2R)-2-methyl-1,4-dioxacyclotetradecane-5,14-dione

C13H22O4 — CID 7075077

IUPAC(2R)-2-methyl-1,4-dioxacyclotetradecane-5,14-dione
SMILESC[C@@H]1COC(=O)CCCCCCCCC(=O)O1
InChIInChI=1S/C13H22O4/c1-11-10-16-12(14)8-6-4-2-3-5-7-9-13(15)17-11/h11H,2-10H2,1H3/t11-/m1/s1
InChIKeyJOZILNCSRASEMU-LLVKDONJSA-N
MW242.31 g/mol
LogP2.60
Rot. Bonds

About (2R)-2-methyl-1,4-dioxacyclotetradecane-5,14-dione

(2R)-2-methyl-1,4-dioxacyclotetradecane-5,14-dione (PubChem CID 7075077) has the molecular formula C13H22O4 and a molecular weight of 242.31 g/mol. Its IUPAC name is (2R)-2-methyl-1,4-dioxacyclotetradecane-5,14-dione.

Molecular Properties

Compound Name(2R)-2-methyl-1,4-dioxacyclotetradecane-5,14-dione
PubChem CID7075077
Molecular FormulaC13H22O4
Molecular Weight242.31 g/mol
Exact Mass242.15
IUPAC Name(2R)-2-methyl-1,4-dioxacyclotetradecane-5,14-dione
SMILESC[C@@H]1COC(=O)CCCCCCCCC(=O)O1
InChIInChI=1S/C13H22O4/c1-11-10-16-12(14)8-6-4-2-3-5-7-9-13(15)17-11/h11H,2-10H2,1H3/t11-/m1/s1
InChIKeyJOZILNCSRASEMU-LLVKDONJSA-N
XLogP2.60
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.31
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-1,4-dioxacyclooctadecane-5,18-dione
CID 18006200
(15S)-15-methyl-oxacyclopentadecan-2-one
CID 86278289
(16R)-16-methyl-oxacyclohexadecan-2-one
CID 10978020
(14R)-14-methyl-oxacyclotetradecan-2-one
CID 11009676
6-methyloxan-2-one;oxepan-2-one
CID 167589650
9-methyl-1,8-dioxacyclohexadecane-2,7-dione
CID 67348621
2,3-dimethyl-1,5-dioxacycloheptadecane-6,17-dione;ethane-1,2-diol
CID 70414102
6-methyloxan-2-one
CID 160564586
2-methyl-1-oxa-5-azacyclotridecane-6,13-dione
CID 71819182
2-cyclohexyl-1,4-dioxecane-5,10-dione
CID 54163807
6-methyloxan-2-one;5-methyloxolan-2-one
CID 142135496
(6S)-6-methyloxepan-2-one
CID 14866717

Frequently Asked Questions

What is the IUPAC name of (2R)-2-methyl-1,4-dioxacyclotetradecane-5,14-dione?
The IUPAC name of (2R)-2-methyl-1,4-dioxacyclotetradecane-5,14-dione (CID 7075077) is (2R)-2-methyl-1,4-dioxacyclotetradecane-5,14-dione.
What is the SMILES notation for (2R)-2-methyl-1,4-dioxacyclotetradecane-5,14-dione?
The canonical SMILES for (2R)-2-methyl-1,4-dioxacyclotetradecane-5,14-dione is C[C@@H]1COC(=O)CCCCCCCCC(=O)O1.
What is the InChIKey of (2R)-2-methyl-1,4-dioxacyclotetradecane-5,14-dione?
The InChIKey is JOZILNCSRASEMU-LLVKDONJSA-N. The full InChI is InChI=1S/C13H22O4/c1-11-10-16-12(14)8-6-4-2-3-5-7-9-13(15)17-11/h11H,2-10H2,1H3/t11-/m1/s1.
What are the key properties of (2R)-2-methyl-1,4-dioxacyclotetradecane-5,14-dione?
(2R)-2-methyl-1,4-dioxacyclotetradecane-5,14-dione has a molecular weight of 242.31 g/mol, XLogP of 2.60, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-methyl-1,4-dioxacyclotetradecane-5,14-dione is sourced from PubChem (CID 7075077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).