dispiro[2.0.24.13]heptan-5-ylmethanol

C8H12O — CID 85203891

IUPACdispiro[2.0.24.13]heptan-5-ylmethanol
SMILESOCC1CC12CC21CC1
InChIInChI=1S/C8H12O/c9-4-6-3-8(6)5-7(8)1-2-7/h6,9H,1-5H2
InChIKeyLTKJWYVADOMAGA-UHFFFAOYSA-N
MW124.18 g/mol
LogP1.17
Rot. Bonds1

About dispiro[2.0.24.13]heptan-5-ylmethanol

dispiro[2.0.24.13]heptan-5-ylmethanol (PubChem CID 85203891) has the molecular formula C8H12O and a molecular weight of 124.18 g/mol. Its IUPAC name is dispiro[2.0.24.13]heptan-5-ylmethanol.

Molecular Properties

Compound Namedispiro[2.0.24.13]heptan-5-ylmethanol
PubChem CID85203891
Molecular FormulaC8H12O
Molecular Weight124.18 g/mol
Exact Mass124.09
IUPAC Namedispiro[2.0.24.13]heptan-5-ylmethanol
SMILESOCC1CC12CC21CC1
InChIInChI=1S/C8H12O/c9-4-6-3-8(6)5-7(8)1-2-7/h6,9H,1-5H2
InChIKeyLTKJWYVADOMAGA-UHFFFAOYSA-N
XLogP1.17
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.18
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze dispiro[2.0.24.13]heptan-5-ylmethanol 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 dispiro[2.0.24.13]heptan-5-ylmethanol?
The IUPAC name of dispiro[2.0.24.13]heptan-5-ylmethanol (CID 85203891) is dispiro[2.0.24.13]heptan-5-ylmethanol.
What is the SMILES notation for dispiro[2.0.24.13]heptan-5-ylmethanol?
The canonical SMILES for dispiro[2.0.24.13]heptan-5-ylmethanol is OCC1CC12CC21CC1.
What is the InChIKey of dispiro[2.0.24.13]heptan-5-ylmethanol?
The InChIKey is LTKJWYVADOMAGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O/c9-4-6-3-8(6)5-7(8)1-2-7/h6,9H,1-5H2.
What are the key properties of dispiro[2.0.24.13]heptan-5-ylmethanol?
dispiro[2.0.24.13]heptan-5-ylmethanol has a molecular weight of 124.18 g/mol, XLogP of 1.17, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for dispiro[2.0.24.13]heptan-5-ylmethanol is sourced from PubChem (CID 85203891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).