5-cyclopropyl-5-methylhexan-3-one;1,1-dimethylcyclobutane;ethane;2-[3-methyl-4-(pentan-2-ylideneamino)phenyl]propan-2-ol

C33H59NO2 — CID 153345639

IUPAC5-cyclopropyl-5-methylhexan-3-one;1,1-dimethylcyclobutane;ethane;2-[3-methyl-4-(pentan-2-ylideneamino)phenyl]propan-2-ol
SMILESCC.CC1(C)CCC1.CCC(=O)CC(C)(C)C1CC1.CCC/C(C)=N/c1ccc(C(C)(C)O)cc1C
InChIInChI=1S/C15H23NO.C10H18O.C6H12.C2H6/c1-6-7-12(3)16-14-9-8-13(10-11(14)2)15(4,5)17;1-4-9(11)7-10(2,3)8-5-6-8;1-6(2)4-3-5-6;1-2/h8-10,17H,6-7H2,1-5H3;8H,4-7H2,1-3H3;3-5H2,1-2H3;1-2H3/b16-12+;;;
InChIKeyYUZKAWBHLYXTDE-SYBKDYESSA-N
MW501.84 g/mol
LogP10.13
Rot. Bonds8

About 5-cyclopropyl-5-methylhexan-3-one;1,1-dimethylcyclobutane;ethane;2-[3-methyl-4-(pentan-2-ylideneamino)phenyl]propan-2-ol

5-cyclopropyl-5-methylhexan-3-one;1,1-dimethylcyclobutane;ethane;2-[3-methyl-4-(pentan-2-ylideneamino)phenyl]propan-2-ol (PubChem CID 153345639) has the molecular formula C33H59NO2 and a molecular weight of 501.84 g/mol. Its IUPAC name is 5-cyclopropyl-5-methylhexan-3-one;1,1-dimethylcyclobutane;ethane;2-[3-methyl-4-(pentan-2-ylideneamino)phenyl]propan-2-ol.

Molecular Properties

Compound Name5-cyclopropyl-5-methylhexan-3-one;1,1-dimethylcyclobutane;ethane;2-[3-methyl-4-(pentan-2-ylideneamino)phenyl]propan-2-ol
PubChem CID153345639
Molecular FormulaC33H59NO2
Molecular Weight501.84 g/mol
Exact Mass501.45
IUPAC Name5-cyclopropyl-5-methylhexan-3-one;1,1-dimethylcyclobutane;ethane;2-[3-methyl-4-(pentan-2-ylideneamino)phenyl]propan-2-ol
SMILESCC.CC1(C)CCC1.CCC(=O)CC(C)(C)C1CC1.CCC/C(C)=N/c1ccc(C(C)(C)O)cc1C
InChIInChI=1S/C15H23NO.C10H18O.C6H12.C2H6/c1-6-7-12(3)16-14-9-8-13(10-11(14)2)15(4,5)17;1-4-9(11)7-10(2,3)8-5-6-8;1-6(2)4-3-5-6;1-2/h8-10,17H,6-7H2,1-5H3;8H,4-7H2,1-3H3;3-5H2,1-2H3;1-2H3/b16-12+;;;
InChIKeyYUZKAWBHLYXTDE-SYBKDYESSA-N
XLogP10.13
TPSA49.66 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500501.84
LogP ≤ 510.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

1,1-dimethylcyclobutane;2-[3-methyl-4-(pentan-2-ylideneamino)phenyl]propan-2-ol;1-(2,2,3,3-tetrafluorocyclobutyl)butan-2-one
CID 153346131
methylcyclobutane;2-[3-methyl-4-(pentan-2-ylideneamino)phenyl]propan-2-ol;7,7,7-trifluoro-5,5-dimethylheptan-3-one
CID 153345767
1,1-dimethylcyclobutane;N-(5-fluoro-2-methylphenyl)butan-2-imine;1-[1-(trifluoromethyl)cyclopropyl]butan-2-one
CID 153345825
methylcyclobutane;2-[3-methyl-4-(pentan-2-ylideneamino)-5-(trifluoromethyl)phenyl]propan-2-ol
CID 153345852
1-(1-hydroxycyclobutyl)butan-2-one;methylcyclobutane;N-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]pentan-2-imine
CID 153345732
2-cyclopropyl-8-[6-(2-hydroxypropan-2-yl)-1-(2,2,2-trifluoroethyl)benzimidazol-2-yl]-2-methyloctan-4-one
CID 139518442
2-[3-(3,3-difluorocyclobutyl)-2-methylbenzimidazol-5-yl]propan-2-ol;5,5-dimethylhexan-3-one
CID 153345860
4-(hexan-2-ylideneamino)-N-hydroxy-3-methylbenzamide
CID 143880188
2-[2,6-difluoro-3-methyl-4-(pentan-2-ylideneamino)phenyl]propan-2-ol
CID 153345686
N-[5-cyclopropyl-2-methyl-4-(trifluoromethyl)phenyl]pentan-2-imine
CID 153345587
1-[4-(2-methylbutan-2-yl)cyclohexyl]butan-1-one
CID 83046839
1-cyclopropyl-1-(4-ethylphenyl)ethanol
CID 23255821

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-5-methylhexan-3-one;1,1-dimethylcyclobutane;ethane;2-[3-methyl-4-(pentan-2-ylideneamino)phenyl]propan-2-ol?
The IUPAC name of 5-cyclopropyl-5-methylhexan-3-one;1,1-dimethylcyclobutane;ethane;2-[3-methyl-4-(pentan-2-ylideneamino)phenyl]propan-2-ol (CID 153345639) is 5-cyclopropyl-5-methylhexan-3-one;1,1-dimethylcyclobutane;ethane;2-[3-methyl-4-(pentan-2-ylideneamino)phenyl]propan-2-ol.
What is the SMILES notation for 5-cyclopropyl-5-methylhexan-3-one;1,1-dimethylcyclobutane;ethane;2-[3-methyl-4-(pentan-2-ylideneamino)phenyl]propan-2-ol?
The canonical SMILES for 5-cyclopropyl-5-methylhexan-3-one;1,1-dimethylcyclobutane;ethane;2-[3-methyl-4-(pentan-2-ylideneamino)phenyl]propan-2-ol is CC.CC1(C)CCC1.CCC(=O)CC(C)(C)C1CC1.CCC/C(C)=N/c1ccc(C(C)(C)O)cc1C.
What is the InChIKey of 5-cyclopropyl-5-methylhexan-3-one;1,1-dimethylcyclobutane;ethane;2-[3-methyl-4-(pentan-2-ylideneamino)phenyl]propan-2-ol?
The InChIKey is YUZKAWBHLYXTDE-SYBKDYESSA-N. The full InChI is InChI=1S/C15H23NO.C10H18O.C6H12.C2H6/c1-6-7-12(3)16-14-9-8-13(10-11(14)2)15(4,5)17;1-4-9(11)7-10(2,3)8-5-6-8;1-6(2)4-3-5-6;1-2/h8-10,17H,6-7H2,1-5H3;8H,4-7H2,1-3H3;3-5H2,1-2H3;1-2H3/b16-12+;;;.
What are the key properties of 5-cyclopropyl-5-methylhexan-3-one;1,1-dimethylcyclobutane;ethane;2-[3-methyl-4-(pentan-2-ylideneamino)phenyl]propan-2-ol?
5-cyclopropyl-5-methylhexan-3-one;1,1-dimethylcyclobutane;ethane;2-[3-methyl-4-(pentan-2-ylideneamino)phenyl]propan-2-ol has a molecular weight of 501.84 g/mol, XLogP of 10.13, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-5-methylhexan-3-one;1,1-dimethylcyclobutane;ethane;2-[3-methyl-4-(pentan-2-ylideneamino)phenyl]propan-2-ol is sourced from PubChem (CID 153345639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).