7,7-dimethylspiro[2,4,4a,5,6,7a-hexahydrocyclopenta[b][1,4]oxazine-3,1'-cyclohexane]

C14H25NO — CID 115824706

IUPAC7,7-dimethylspiro[2,4,4a,5,6,7a-hexahydrocyclopenta[b][1,4]oxazine-3,1'-cyclohexane]
SMILESCC1(C)CCC2NC3(CCCCC3)COC21
InChIInChI=1S/C14H25NO/c1-13(2)9-6-11-12(13)16-10-14(15-11)7-4-3-5-8-14/h11-12,15H,3-10H2,1-2H3
InChIKeyPRYWSLAQJVOKSS-UHFFFAOYSA-N
MW223.36 g/mol
LogP2.87
Rot. Bonds

About 7,7-dimethylspiro[2,4,4a,5,6,7a-hexahydrocyclopenta[b][1,4]oxazine-3,1'-cyclohexane]

7,7-dimethylspiro[2,4,4a,5,6,7a-hexahydrocyclopenta[b][1,4]oxazine-3,1'-cyclohexane] (PubChem CID 115824706) has the molecular formula C14H25NO and a molecular weight of 223.36 g/mol. Its IUPAC name is 7,7-dimethylspiro[2,4,4a,5,6,7a-hexahydrocyclopenta[b][1,4]oxazine-3,1'-cyclohexane].

Molecular Properties

Compound Name7,7-dimethylspiro[2,4,4a,5,6,7a-hexahydrocyclopenta[b][1,4]oxazine-3,1'-cyclohexane]
PubChem CID115824706
Molecular FormulaC14H25NO
Molecular Weight223.36 g/mol
Exact Mass223.19
IUPAC Name7,7-dimethylspiro[2,4,4a,5,6,7a-hexahydrocyclopenta[b][1,4]oxazine-3,1'-cyclohexane]
SMILESCC1(C)CCC2NC3(CCCCC3)COC21
InChIInChI=1S/C14H25NO/c1-13(2)9-6-11-12(13)16-10-14(15-11)7-4-3-5-8-14/h11-12,15H,3-10H2,1-2H3
InChIKeyPRYWSLAQJVOKSS-UHFFFAOYSA-N
XLogP2.87
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 7,7-dimethylspiro[2,4,4a,5,6,7a-hexahydrocyclopenta[b][1,4]oxazine-3,1'-cyclohexane] with MolForge

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Frequently Asked Questions

What is the IUPAC name of 7,7-dimethylspiro[2,4,4a,5,6,7a-hexahydrocyclopenta[b][1,4]oxazine-3,1'-cyclohexane]?
The IUPAC name of 7,7-dimethylspiro[2,4,4a,5,6,7a-hexahydrocyclopenta[b][1,4]oxazine-3,1'-cyclohexane] (CID 115824706) is 7,7-dimethylspiro[2,4,4a,5,6,7a-hexahydrocyclopenta[b][1,4]oxazine-3,1'-cyclohexane].
What is the SMILES notation for 7,7-dimethylspiro[2,4,4a,5,6,7a-hexahydrocyclopenta[b][1,4]oxazine-3,1'-cyclohexane]?
The canonical SMILES for 7,7-dimethylspiro[2,4,4a,5,6,7a-hexahydrocyclopenta[b][1,4]oxazine-3,1'-cyclohexane] is CC1(C)CCC2NC3(CCCCC3)COC21.
What is the InChIKey of 7,7-dimethylspiro[2,4,4a,5,6,7a-hexahydrocyclopenta[b][1,4]oxazine-3,1'-cyclohexane]?
The InChIKey is PRYWSLAQJVOKSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO/c1-13(2)9-6-11-12(13)16-10-14(15-11)7-4-3-5-8-14/h11-12,15H,3-10H2,1-2H3.
What are the key properties of 7,7-dimethylspiro[2,4,4a,5,6,7a-hexahydrocyclopenta[b][1,4]oxazine-3,1'-cyclohexane]?
7,7-dimethylspiro[2,4,4a,5,6,7a-hexahydrocyclopenta[b][1,4]oxazine-3,1'-cyclohexane] has a molecular weight of 223.36 g/mol, XLogP of 2.87, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7-dimethylspiro[2,4,4a,5,6,7a-hexahydrocyclopenta[b][1,4]oxazine-3,1'-cyclohexane] is sourced from PubChem (CID 115824706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).