3-tert-butylcyclobutan-1-ol

C8H16O — CID 519778

IUPAC3-tert-butylcyclobutan-1-ol
SMILESCC(C)(C)C1CC(O)C1
InChIInChI=1S/C8H16O/c1-8(2,3)6-4-7(9)5-6/h6-7,9H,4-5H2,1-3H3
InChIKeyQTUJAHPEPCHIKC-UHFFFAOYSA-N
MW128.21 g/mol
LogP1.80
Rot. Bonds

About 3-tert-butylcyclobutan-1-ol

3-tert-butylcyclobutan-1-ol (PubChem CID 519778) has the molecular formula C8H16O and a molecular weight of 128.21 g/mol. Its IUPAC name is 3-tert-butylcyclobutan-1-ol.

Molecular Properties

Compound Name3-tert-butylcyclobutan-1-ol
PubChem CID519778
Molecular FormulaC8H16O
Molecular Weight128.21 g/mol
Exact Mass128.12
IUPAC Name3-tert-butylcyclobutan-1-ol
SMILESCC(C)(C)C1CC(O)C1
InChIInChI=1S/C8H16O/c1-8(2,3)6-4-7(9)5-6/h6-7,9H,4-5H2,1-3H3
InChIKeyQTUJAHPEPCHIKC-UHFFFAOYSA-N
XLogP1.80
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.21
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-tert-butylcyclobutan-1-ol?
The IUPAC name of 3-tert-butylcyclobutan-1-ol (CID 519778) is 3-tert-butylcyclobutan-1-ol.
What is the SMILES notation for 3-tert-butylcyclobutan-1-ol?
The canonical SMILES for 3-tert-butylcyclobutan-1-ol is CC(C)(C)C1CC(O)C1.
What is the InChIKey of 3-tert-butylcyclobutan-1-ol?
The InChIKey is QTUJAHPEPCHIKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O/c1-8(2,3)6-4-7(9)5-6/h6-7,9H,4-5H2,1-3H3.
What are the key properties of 3-tert-butylcyclobutan-1-ol?
3-tert-butylcyclobutan-1-ol has a molecular weight of 128.21 g/mol, XLogP of 1.80, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butylcyclobutan-1-ol is sourced from PubChem (CID 519778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).