1-cyclobutyl-2-(3,3-dimethylbutoxy)benzene

C16H24O — CID 70807939

IUPAC1-cyclobutyl-2-(3,3-dimethylbutoxy)benzene
SMILESCC(C)(C)CCOc1ccccc1C1CCC1
InChIInChI=1S/C16H24O/c1-16(2,3)11-12-17-15-10-5-4-9-14(15)13-7-6-8-13/h4-5,9-10,13H,6-8,11-12H2,1-3H3
InChIKeyABWCSMCRFAVNSF-UHFFFAOYSA-N
MW232.37 g/mol
LogP4.77
Rot. Bonds4

About 1-cyclobutyl-2-(3,3-dimethylbutoxy)benzene

1-cyclobutyl-2-(3,3-dimethylbutoxy)benzene (PubChem CID 70807939) has the molecular formula C16H24O and a molecular weight of 232.37 g/mol. Its IUPAC name is 1-cyclobutyl-2-(3,3-dimethylbutoxy)benzene.

Molecular Properties

Compound Name1-cyclobutyl-2-(3,3-dimethylbutoxy)benzene
PubChem CID70807939
Molecular FormulaC16H24O
Molecular Weight232.37 g/mol
Exact Mass232.18
IUPAC Name1-cyclobutyl-2-(3,3-dimethylbutoxy)benzene
SMILESCC(C)(C)CCOc1ccccc1C1CCC1
InChIInChI=1S/C16H24O/c1-16(2,3)11-12-17-15-10-5-4-9-14(15)13-7-6-8-13/h4-5,9-10,13H,6-8,11-12H2,1-3H3
InChIKeyABWCSMCRFAVNSF-UHFFFAOYSA-N
XLogP4.77
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.37
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-(2-cyclohexylphenoxy)ethanamine
CID 115031579
1-(4-bromobutoxy)-2-cyclohexylbenzene
CID 12660402
N-methyl-3-(2-propoxyphenyl)cyclohexan-1-amine
CID 113438529
4-[2-(2-methoxyethoxy)phenyl]piperidine;hydrochloride
CID 163359265
1-bromo-2-(3,3-dimethylbutoxy)benzene
CID 63530273
4-(3,3-dimethylbutoxy)-N-propyl-2,3-dihydro-1H-inden-1-amine
CID 63485329
1-bromo-3-(2-propoxyphenyl)cycloheptane
CID 104662860
1-(bromomethoxy)-2-cyclopropylbenzene
CID 174624638
1-bromo-3-[2-(2-methoxyethoxy)phenyl]cycloheptane
CID 113438552
2-[2-(2-cyclohexylphenoxy)ethyl]-5-methyl-4,5-dihydro-1H-imidazole;hydrochloride
CID 138401650
(2-cyclobutylphenyl) acetate
CID 176943294
2-[2-(oxan-4-yl)phenoxy]ethanamine
CID 115032722

Frequently Asked Questions

What is the IUPAC name of 1-cyclobutyl-2-(3,3-dimethylbutoxy)benzene?
The IUPAC name of 1-cyclobutyl-2-(3,3-dimethylbutoxy)benzene (CID 70807939) is 1-cyclobutyl-2-(3,3-dimethylbutoxy)benzene.
What is the SMILES notation for 1-cyclobutyl-2-(3,3-dimethylbutoxy)benzene?
The canonical SMILES for 1-cyclobutyl-2-(3,3-dimethylbutoxy)benzene is CC(C)(C)CCOc1ccccc1C1CCC1.
What is the InChIKey of 1-cyclobutyl-2-(3,3-dimethylbutoxy)benzene?
The InChIKey is ABWCSMCRFAVNSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24O/c1-16(2,3)11-12-17-15-10-5-4-9-14(15)13-7-6-8-13/h4-5,9-10,13H,6-8,11-12H2,1-3H3.
What are the key properties of 1-cyclobutyl-2-(3,3-dimethylbutoxy)benzene?
1-cyclobutyl-2-(3,3-dimethylbutoxy)benzene has a molecular weight of 232.37 g/mol, XLogP of 4.77, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclobutyl-2-(3,3-dimethylbutoxy)benzene is sourced from PubChem (CID 70807939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).