4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[d][1,2]oxazole

C13H21NO — CID 12536975

IUPAC4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[d][1,2]oxazole
SMILESc1noc2c1CCCCCCCCCC2
InChIInChI=1S/C13H21NO/c1-2-4-6-8-10-13-12(11-14-15-13)9-7-5-3-1/h11H,1-10H2
InChIKeyTVEHWQDLKMUBQJ-UHFFFAOYSA-N
MW207.32 g/mol
LogP3.89
Rot. Bonds

About 4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[d][1,2]oxazole

4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[d][1,2]oxazole (PubChem CID 12536975) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is 4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[d][1,2]oxazole.

Molecular Properties

Compound Name4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[d][1,2]oxazole
PubChem CID12536975
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC Name4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[d][1,2]oxazole
SMILESc1noc2c1CCCCCCCCCC2
InChIInChI=1S/C13H21NO/c1-2-4-6-8-10-13-12(11-14-15-13)9-7-5-3-1/h11H,1-10H2
InChIKeyTVEHWQDLKMUBQJ-UHFFFAOYSA-N
XLogP3.89
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[d][1,2]oxazole?
The IUPAC name of 4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[d][1,2]oxazole (CID 12536975) is 4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[d][1,2]oxazole.
What is the SMILES notation for 4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[d][1,2]oxazole?
The canonical SMILES for 4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[d][1,2]oxazole is c1noc2c1CCCCCCCCCC2.
What is the InChIKey of 4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[d][1,2]oxazole?
The InChIKey is TVEHWQDLKMUBQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO/c1-2-4-6-8-10-13-12(11-14-15-13)9-7-5-3-1/h11H,1-10H2.
What are the key properties of 4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[d][1,2]oxazole?
4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[d][1,2]oxazole has a molecular weight of 207.32 g/mol, XLogP of 3.89, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[d][1,2]oxazole is sourced from PubChem (CID 12536975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).