spiro[3.4]octan-3-ol

C8H14O — CID 71744112

IUPACspiro[3.4]octan-3-ol
SMILESOC1CCC12CCCC2
InChIInChI=1S/C8H14O/c9-7-3-6-8(7)4-1-2-5-8/h7,9H,1-6H2
InChIKeyWGEIRNITSVMOJY-UHFFFAOYSA-N
MW126.20 g/mol
LogP1.70
Rot. Bonds

About spiro[3.4]octan-3-ol

spiro[3.4]octan-3-ol (PubChem CID 71744112) has the molecular formula C8H14O and a molecular weight of 126.20 g/mol. Its IUPAC name is spiro[3.4]octan-3-ol.

Molecular Properties

Compound Namespiro[3.4]octan-3-ol
PubChem CID71744112
Molecular FormulaC8H14O
Molecular Weight126.20 g/mol
Exact Mass126.10
IUPAC Namespiro[3.4]octan-3-ol
SMILESOC1CCC12CCCC2
InChIInChI=1S/C8H14O/c9-7-3-6-8(7)4-1-2-5-8/h7,9H,1-6H2
InChIKeyWGEIRNITSVMOJY-UHFFFAOYSA-N
XLogP1.70
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.20
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze spiro[3.4]octan-3-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of spiro[3.4]octan-3-ol?
The IUPAC name of spiro[3.4]octan-3-ol (CID 71744112) is spiro[3.4]octan-3-ol.
What is the SMILES notation for spiro[3.4]octan-3-ol?
The canonical SMILES for spiro[3.4]octan-3-ol is OC1CCC12CCCC2.
What is the InChIKey of spiro[3.4]octan-3-ol?
The InChIKey is WGEIRNITSVMOJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O/c9-7-3-6-8(7)4-1-2-5-8/h7,9H,1-6H2.
What are the key properties of spiro[3.4]octan-3-ol?
spiro[3.4]octan-3-ol has a molecular weight of 126.20 g/mol, XLogP of 1.70, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for spiro[3.4]octan-3-ol is sourced from PubChem (CID 71744112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).