1-(4-hydroxybut-1-en-2-yl)cyclobutan-1-ol

C8H14O2 — CID 102365736

IUPAC1-(4-hydroxybut-1-en-2-yl)cyclobutan-1-ol
SMILESC=C(CCO)C1(O)CCC1
InChIInChI=1S/C8H14O2/c1-7(3-6-9)8(10)4-2-5-8/h9-10H,1-6H2
InChIKeyLMTRRWMKUBMZOV-UHFFFAOYSA-N
MW142.20 g/mol
LogP0.84
Rot. Bonds3

About 1-(4-hydroxybut-1-en-2-yl)cyclobutan-1-ol

1-(4-hydroxybut-1-en-2-yl)cyclobutan-1-ol (PubChem CID 102365736) has the molecular formula C8H14O2 and a molecular weight of 142.20 g/mol. Its IUPAC name is 1-(4-hydroxybut-1-en-2-yl)cyclobutan-1-ol.

Molecular Properties

Compound Name1-(4-hydroxybut-1-en-2-yl)cyclobutan-1-ol
PubChem CID102365736
Molecular FormulaC8H14O2
Molecular Weight142.20 g/mol
Exact Mass142.10
IUPAC Name1-(4-hydroxybut-1-en-2-yl)cyclobutan-1-ol
SMILESC=C(CCO)C1(O)CCC1
InChIInChI=1S/C8H14O2/c1-7(3-6-9)8(10)4-2-5-8/h9-10H,1-6H2
InChIKeyLMTRRWMKUBMZOV-UHFFFAOYSA-N
XLogP0.84
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.20
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(4-hydroxybut-1-en-2-yl)cyclobutan-1-ol?
The IUPAC name of 1-(4-hydroxybut-1-en-2-yl)cyclobutan-1-ol (CID 102365736) is 1-(4-hydroxybut-1-en-2-yl)cyclobutan-1-ol.
What is the SMILES notation for 1-(4-hydroxybut-1-en-2-yl)cyclobutan-1-ol?
The canonical SMILES for 1-(4-hydroxybut-1-en-2-yl)cyclobutan-1-ol is C=C(CCO)C1(O)CCC1.
What is the InChIKey of 1-(4-hydroxybut-1-en-2-yl)cyclobutan-1-ol?
The InChIKey is LMTRRWMKUBMZOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O2/c1-7(3-6-9)8(10)4-2-5-8/h9-10H,1-6H2.
What are the key properties of 1-(4-hydroxybut-1-en-2-yl)cyclobutan-1-ol?
1-(4-hydroxybut-1-en-2-yl)cyclobutan-1-ol has a molecular weight of 142.20 g/mol, XLogP of 0.84, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-hydroxybut-1-en-2-yl)cyclobutan-1-ol is sourced from PubChem (CID 102365736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).