3-butyl-3-methylcyclobutan-1-ol

C9H18O — CID 123195778

IUPAC3-butyl-3-methylcyclobutan-1-ol
SMILESCCCCC1(C)CC(O)C1
InChIInChI=1S/C9H18O/c1-3-4-5-9(2)6-8(10)7-9/h8,10H,3-7H2,1-2H3
InChIKeyXSJVUKLRZOIAJH-UHFFFAOYSA-N
MW142.24 g/mol
LogP2.34
Rot. Bonds3

About 3-butyl-3-methylcyclobutan-1-ol

3-butyl-3-methylcyclobutan-1-ol (PubChem CID 123195778) has the molecular formula C9H18O and a molecular weight of 142.24 g/mol. Its IUPAC name is 3-butyl-3-methylcyclobutan-1-ol.

Molecular Properties

Compound Name3-butyl-3-methylcyclobutan-1-ol
PubChem CID123195778
Molecular FormulaC9H18O
Molecular Weight142.24 g/mol
Exact Mass142.14
IUPAC Name3-butyl-3-methylcyclobutan-1-ol
SMILESCCCCC1(C)CC(O)C1
InChIInChI=1S/C9H18O/c1-3-4-5-9(2)6-8(10)7-9/h8,10H,3-7H2,1-2H3
InChIKeyXSJVUKLRZOIAJH-UHFFFAOYSA-N
XLogP2.34
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.24
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-methyl-3-propylcyclobutan-1-ol
CID 176695385
1-butyl-1-methyl-3-propan-2-ylcyclobutane
CID 162724820
1,3-dimethyl-1-pentylcyclobutane;ethane
CID 171802014
3-methyl-3-[2-(methylamino)ethyl]cyclobutan-1-ol
CID 145221775
3-(aminomethyl)-3-methylcyclobutan-1-ol
CID 115011071
1-butyl-1,3,3-trimethylcyclobutane
CID 91249753
1-butyl-1,3-dimethylcyclopentane
CID 123273889
cis-(1R,2S)-2-methyl-2-nonylcyclopropan-1-ol
CID 102123339
4,4-dibutylcyclohexan-1-ol
CID 154113333
CID 123789898
CID 123789898
N-butylbutan-1-amine;ethanol;2,2,6,6-tetramethylpiperidin-4-ol
CID 174840743
3-[7-butyl-1-(3-hydroxypropyl)-3,7-dimethyl-3-bicyclo[3.3.1]nonanyl]propan-1-ol
CID 177137807

Frequently Asked Questions

What is the IUPAC name of 3-butyl-3-methylcyclobutan-1-ol?
The IUPAC name of 3-butyl-3-methylcyclobutan-1-ol (CID 123195778) is 3-butyl-3-methylcyclobutan-1-ol.
What is the SMILES notation for 3-butyl-3-methylcyclobutan-1-ol?
The canonical SMILES for 3-butyl-3-methylcyclobutan-1-ol is CCCCC1(C)CC(O)C1.
What is the InChIKey of 3-butyl-3-methylcyclobutan-1-ol?
The InChIKey is XSJVUKLRZOIAJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O/c1-3-4-5-9(2)6-8(10)7-9/h8,10H,3-7H2,1-2H3.
What are the key properties of 3-butyl-3-methylcyclobutan-1-ol?
3-butyl-3-methylcyclobutan-1-ol has a molecular weight of 142.24 g/mol, XLogP of 2.34, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butyl-3-methylcyclobutan-1-ol is sourced from PubChem (CID 123195778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).