6,9,10-trimethyl-1,4,7-oxadiazecane-3,8-dione

C10H18N2O3 — CID 20681320

IUPAC6,9,10-trimethyl-1,4,7-oxadiazecane-3,8-dione
SMILESCC1CNC(=O)COC(C)C(C)C(=O)N1
InChIInChI=1S/C10H18N2O3/c1-6-4-11-9(13)5-15-8(3)7(2)10(14)12-6/h6-8H,4-5H2,1-3H3,(H,11,13)(H,12,14)
InChIKeyYGYNTZQZCSJOQQ-UHFFFAOYSA-N
MW214.26 g/mol
LogP-0.34
Rot. Bonds

About 6,9,10-trimethyl-1,4,7-oxadiazecane-3,8-dione

6,9,10-trimethyl-1,4,7-oxadiazecane-3,8-dione (PubChem CID 20681320) has the molecular formula C10H18N2O3 and a molecular weight of 214.26 g/mol. Its IUPAC name is 6,9,10-trimethyl-1,4,7-oxadiazecane-3,8-dione.

Molecular Properties

Compound Name6,9,10-trimethyl-1,4,7-oxadiazecane-3,8-dione
PubChem CID20681320
Molecular FormulaC10H18N2O3
Molecular Weight214.26 g/mol
Exact Mass214.13
IUPAC Name6,9,10-trimethyl-1,4,7-oxadiazecane-3,8-dione
SMILESCC1CNC(=O)COC(C)C(C)C(=O)N1
InChIInChI=1S/C10H18N2O3/c1-6-4-11-9(13)5-15-8(3)7(2)10(14)12-6/h6-8H,4-5H2,1-3H3,(H,11,13)(H,12,14)
InChIKeyYGYNTZQZCSJOQQ-UHFFFAOYSA-N
XLogP-0.34
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 5-0.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

ethane;(6S)-6-methylmorpholin-3-one
CID 144732959
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6-ethylmorpholin-3-one
CID 77393291
6-piperidin-3-ylmorpholin-3-one
CID 115067880
2-(5-oxomorpholin-2-yl)acetic acid
CID 83815625
6-(difluoromethyl)morpholin-3-one
CID 178200561
3,6-dimethylpiperazin-2-one;hydrochloride
CID 74890092
6-(1-methoxyethyl)morpholin-3-one
CID 131048129
trans-(8S,21S)-8,21-dimethyl-1,4,13,16-tetraoxa-7,10,19,22-tetrazacyclotetracosane-6,23-dione
CID 15459450
6-(aminomethyl)morpholin-3-one;hydrochloride
CID 22612261
(5R)-4,5-dimethylpiperidin-2-one
CID 55298895
CID 66603050
CID 66603050

Frequently Asked Questions

What is the IUPAC name of 6,9,10-trimethyl-1,4,7-oxadiazecane-3,8-dione?
The IUPAC name of 6,9,10-trimethyl-1,4,7-oxadiazecane-3,8-dione (CID 20681320) is 6,9,10-trimethyl-1,4,7-oxadiazecane-3,8-dione.
What is the SMILES notation for 6,9,10-trimethyl-1,4,7-oxadiazecane-3,8-dione?
The canonical SMILES for 6,9,10-trimethyl-1,4,7-oxadiazecane-3,8-dione is CC1CNC(=O)COC(C)C(C)C(=O)N1.
What is the InChIKey of 6,9,10-trimethyl-1,4,7-oxadiazecane-3,8-dione?
The InChIKey is YGYNTZQZCSJOQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O3/c1-6-4-11-9(13)5-15-8(3)7(2)10(14)12-6/h6-8H,4-5H2,1-3H3,(H,11,13)(H,12,14).
What are the key properties of 6,9,10-trimethyl-1,4,7-oxadiazecane-3,8-dione?
6,9,10-trimethyl-1,4,7-oxadiazecane-3,8-dione has a molecular weight of 214.26 g/mol, XLogP of -0.34, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,9,10-trimethyl-1,4,7-oxadiazecane-3,8-dione is sourced from PubChem (CID 20681320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).