cyclobutanol;2,3-dimethylbutan-1-ol;1-propan-2-ylcyclobutan-1-ol

C17H36O3 — CID 160600152

IUPACcyclobutanol;2,3-dimethylbutan-1-ol;1-propan-2-ylcyclobutan-1-ol
SMILESCC(C)C(C)CO.CC(C)C1(O)CCC1.OC1CCC1
InChIInChI=1S/C7H14O.C6H14O.C4H8O/c1-6(2)7(8)4-3-5-7;1-5(2)6(3)4-7;5-4-2-1-3-4/h6,8H,3-5H2,1-2H3;5-7H,4H2,1-3H3;4-5H,1-3H2
InChIKeyREDYEEFJPCJENT-UHFFFAOYSA-N
MW288.47 g/mol
LogP3.36
Rot. Bonds3

About cyclobutanol;2,3-dimethylbutan-1-ol;1-propan-2-ylcyclobutan-1-ol

cyclobutanol;2,3-dimethylbutan-1-ol;1-propan-2-ylcyclobutan-1-ol (PubChem CID 160600152) has the molecular formula C17H36O3 and a molecular weight of 288.47 g/mol. Its IUPAC name is cyclobutanol;2,3-dimethylbutan-1-ol;1-propan-2-ylcyclobutan-1-ol.

Molecular Properties

Compound Namecyclobutanol;2,3-dimethylbutan-1-ol;1-propan-2-ylcyclobutan-1-ol
PubChem CID160600152
Molecular FormulaC17H36O3
Molecular Weight288.47 g/mol
Exact Mass288.27
IUPAC Namecyclobutanol;2,3-dimethylbutan-1-ol;1-propan-2-ylcyclobutan-1-ol
SMILESCC(C)C(C)CO.CC(C)C1(O)CCC1.OC1CCC1
InChIInChI=1S/C7H14O.C6H14O.C4H8O/c1-6(2)7(8)4-3-5-7;1-5(2)6(3)4-7;5-4-2-1-3-4/h6,8H,3-5H2,1-2H3;5-7H,4H2,1-3H3;4-5H,1-3H2
InChIKeyREDYEEFJPCJENT-UHFFFAOYSA-N
XLogP3.36
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.47
LogP ≤ 53.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze cyclobutanol;2,3-dimethylbutan-1-ol;1-propan-2-ylcyclobutan-1-ol with MolForge

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Related Compounds

4-ethyl-1-propan-2-ylcycloheptan-1-ol
CID 65085832
1-methylcyclohexane-1,4-diol;2-methylpropane-1,3-diol
CID 70350991
2,3-dimethylbutan-1-ol;2-methylbut-2-ene
CID 159485541
2-(4-hydroxy-4-propan-2-ylcyclohexyl)acetamide
CID 58456192
cis-(1R,3R)-3-methyl-1-propan-2-ylcyclohexan-1-ol
CID 118858373
2,3-dimethylbutan-1-ol;ethane;fluoromethane
CID 143378168
1-[2-hydroxy-1-(2-hydroxyethoxy)ethyl]cyclohexane-1,4-diol
CID 68529032
cyclobutanol;cyclopropanol
CID 175019048
2-methylpropanoic acid;1-propan-2-ylcyclohexan-1-ol
CID 174748653
1-[(2R)-3,3-dimethylbutan-2-yl]cyclobutan-1-ol
CID 171752965
1-(1-amino-2-methylpropyl)cyclopentan-1-ol
CID 18373867
4-hydroxy-1-(1-hydroxypropan-2-yl)cyclohexane-1-carboxylic acid
CID 130531637

Frequently Asked Questions

What is the IUPAC name of cyclobutanol;2,3-dimethylbutan-1-ol;1-propan-2-ylcyclobutan-1-ol?
The IUPAC name of cyclobutanol;2,3-dimethylbutan-1-ol;1-propan-2-ylcyclobutan-1-ol (CID 160600152) is cyclobutanol;2,3-dimethylbutan-1-ol;1-propan-2-ylcyclobutan-1-ol.
What is the SMILES notation for cyclobutanol;2,3-dimethylbutan-1-ol;1-propan-2-ylcyclobutan-1-ol?
The canonical SMILES for cyclobutanol;2,3-dimethylbutan-1-ol;1-propan-2-ylcyclobutan-1-ol is CC(C)C(C)CO.CC(C)C1(O)CCC1.OC1CCC1.
What is the InChIKey of cyclobutanol;2,3-dimethylbutan-1-ol;1-propan-2-ylcyclobutan-1-ol?
The InChIKey is REDYEEFJPCJENT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14O.C6H14O.C4H8O/c1-6(2)7(8)4-3-5-7;1-5(2)6(3)4-7;5-4-2-1-3-4/h6,8H,3-5H2,1-2H3;5-7H,4H2,1-3H3;4-5H,1-3H2.
What are the key properties of cyclobutanol;2,3-dimethylbutan-1-ol;1-propan-2-ylcyclobutan-1-ol?
cyclobutanol;2,3-dimethylbutan-1-ol;1-propan-2-ylcyclobutan-1-ol has a molecular weight of 288.47 g/mol, XLogP of 3.36, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclobutanol;2,3-dimethylbutan-1-ol;1-propan-2-ylcyclobutan-1-ol is sourced from PubChem (CID 160600152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).