3-methyl-3-propylcyclobutan-1-ol

C8H16O — CID 176695385

IUPAC3-methyl-3-propylcyclobutan-1-ol
SMILESCCCC1(C)CC(O)C1
InChIInChI=1S/C8H16O/c1-3-4-8(2)5-7(9)6-8/h7,9H,3-6H2,1-2H3
InChIKeyZCMBOVZDOIOETL-UHFFFAOYSA-N
MW128.21 g/mol
LogP1.95
Rot. Bonds2

About 3-methyl-3-propylcyclobutan-1-ol

3-methyl-3-propylcyclobutan-1-ol (PubChem CID 176695385) has the molecular formula C8H16O and a molecular weight of 128.21 g/mol. Its IUPAC name is 3-methyl-3-propylcyclobutan-1-ol.

Molecular Properties

Compound Name3-methyl-3-propylcyclobutan-1-ol
PubChem CID176695385
Molecular FormulaC8H16O
Molecular Weight128.21 g/mol
Exact Mass128.12
IUPAC Name3-methyl-3-propylcyclobutan-1-ol
SMILESCCCC1(C)CC(O)C1
InChIInChI=1S/C8H16O/c1-3-4-8(2)5-7(9)6-8/h7,9H,3-6H2,1-2H3
InChIKeyZCMBOVZDOIOETL-UHFFFAOYSA-N
XLogP1.95
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.21
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-3-propylcyclobutan-1-ol?
The IUPAC name of 3-methyl-3-propylcyclobutan-1-ol (CID 176695385) is 3-methyl-3-propylcyclobutan-1-ol.
What is the SMILES notation for 3-methyl-3-propylcyclobutan-1-ol?
The canonical SMILES for 3-methyl-3-propylcyclobutan-1-ol is CCCC1(C)CC(O)C1.
What is the InChIKey of 3-methyl-3-propylcyclobutan-1-ol?
The InChIKey is ZCMBOVZDOIOETL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O/c1-3-4-8(2)5-7(9)6-8/h7,9H,3-6H2,1-2H3.
What are the key properties of 3-methyl-3-propylcyclobutan-1-ol?
3-methyl-3-propylcyclobutan-1-ol has a molecular weight of 128.21 g/mol, XLogP of 1.95, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3-propylcyclobutan-1-ol is sourced from PubChem (CID 176695385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).