7-(4-butylphenyl)-9,9-dimethyl-1-oxa-6-azaspiro[4.4]non-6-ene

C19H27NO — CID 176909641

IUPAC7-(4-butylphenyl)-9,9-dimethyl-1-oxa-6-azaspiro[4.4]non-6-ene
SMILESCCCCc1ccc(C2=NC3(CCCO3)C(C)(C)C2)cc1
InChIInChI=1S/C19H27NO/c1-4-5-7-15-8-10-16(11-9-15)17-14-18(2,3)19(20-17)12-6-13-21-19/h8-11H,4-7,12-14H2,1-3H3
InChIKeyAIJJHKPEISDDRN-UHFFFAOYSA-N
MW285.43 g/mol
LogP4.75
Rot. Bonds4

About 7-(4-butylphenyl)-9,9-dimethyl-1-oxa-6-azaspiro[4.4]non-6-ene

7-(4-butylphenyl)-9,9-dimethyl-1-oxa-6-azaspiro[4.4]non-6-ene (PubChem CID 176909641) has the molecular formula C19H27NO and a molecular weight of 285.43 g/mol. Its IUPAC name is 7-(4-butylphenyl)-9,9-dimethyl-1-oxa-6-azaspiro[4.4]non-6-ene.

Molecular Properties

Compound Name7-(4-butylphenyl)-9,9-dimethyl-1-oxa-6-azaspiro[4.4]non-6-ene
PubChem CID176909641
Molecular FormulaC19H27NO
Molecular Weight285.43 g/mol
Exact Mass285.21
IUPAC Name7-(4-butylphenyl)-9,9-dimethyl-1-oxa-6-azaspiro[4.4]non-6-ene
SMILESCCCCc1ccc(C2=NC3(CCCO3)C(C)(C)C2)cc1
InChIInChI=1S/C19H27NO/c1-4-5-7-15-8-10-16(11-9-15)17-14-18(2,3)19(20-17)12-6-13-21-19/h8-11H,4-7,12-14H2,1-3H3
InChIKeyAIJJHKPEISDDRN-UHFFFAOYSA-N
XLogP4.75
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.43
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

7-(2-Fluorophenyl)-9,9-dimethyl-1-oxa-6-azaspiro[4.4]non-6-ene
CID 176909629
7-(4-Fluorophenyl)-9,9-dimethyl-1-oxa-6-azaspiro[4.4]non-6-ene
CID 176909633
7-(3-Fluorophenyl)-9,9-dimethyl-1-oxa-6-azaspiro[4.4]non-6-ene
CID 176909635
9,9-Dimethyl-7-[4-(trifluoromethyl)phenyl]-1-oxa-6-azaspiro[4.4]non-6-ene
CID 176909642
4,4-Dimethyl-5-(4-methylphenyl)-2,3-dihydropyrrol-2-ol
CID 132819999
1-[4-[(3,4-dimethylcyclopenta-2,4-dien-1-yl)methyl]-5-methoxycyclohepten-1-yl]-N-[2-[4-(4-ethenyl-4-methylheptyl)phenyl]cyclohexen-1-yl]propan-1-imine
CID 91318087
2-Ethyl-9,9-dimethyl-7-phenyl-1-oxa-6-azaspiro[4.4]non-6-ene
CID 176909624
2,9,9-Trimethyl-7-(4-phenylphenyl)-1-oxa-6-azaspiro[4.4]non-6-ene
CID 176909626
7-(4-Bromophenyl)-9,9-dimethyl-1-oxa-6-azaspiro[4.4]non-6-ene
CID 176909627
7-(4-Chlorophenyl)-9,9-dimethyl-1-oxa-6-azaspiro[4.4]non-6-ene
CID 176909628
7-(4-Ethylphenyl)-9,9-dimethyl-1-oxa-6-azaspiro[4.4]non-6-ene
CID 176909631
7-(3-Bromophenyl)-9,9-dimethyl-1-oxa-6-azaspiro[4.4]non-6-ene
CID 176909636

Frequently Asked Questions

What is the IUPAC name of 7-(4-butylphenyl)-9,9-dimethyl-1-oxa-6-azaspiro[4.4]non-6-ene?
The IUPAC name of 7-(4-butylphenyl)-9,9-dimethyl-1-oxa-6-azaspiro[4.4]non-6-ene (CID 176909641) is 7-(4-butylphenyl)-9,9-dimethyl-1-oxa-6-azaspiro[4.4]non-6-ene.
What is the SMILES notation for 7-(4-butylphenyl)-9,9-dimethyl-1-oxa-6-azaspiro[4.4]non-6-ene?
The canonical SMILES for 7-(4-butylphenyl)-9,9-dimethyl-1-oxa-6-azaspiro[4.4]non-6-ene is CCCCc1ccc(C2=NC3(CCCO3)C(C)(C)C2)cc1.
What is the InChIKey of 7-(4-butylphenyl)-9,9-dimethyl-1-oxa-6-azaspiro[4.4]non-6-ene?
The InChIKey is AIJJHKPEISDDRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27NO/c1-4-5-7-15-8-10-16(11-9-15)17-14-18(2,3)19(20-17)12-6-13-21-19/h8-11H,4-7,12-14H2,1-3H3.
What are the key properties of 7-(4-butylphenyl)-9,9-dimethyl-1-oxa-6-azaspiro[4.4]non-6-ene?
7-(4-butylphenyl)-9,9-dimethyl-1-oxa-6-azaspiro[4.4]non-6-ene has a molecular weight of 285.43 g/mol, XLogP of 4.75, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-butylphenyl)-9,9-dimethyl-1-oxa-6-azaspiro[4.4]non-6-ene is sourced from PubChem (CID 176909641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).