dispiro[2.0.24.13]heptan-7-ylmethanol

C8H12O — CID 11018862

IUPACdispiro[2.0.24.13]heptan-7-ylmethanol
SMILESOCC1C2(CC2)C12CC2
InChIInChI=1S/C8H12O/c9-5-6-7(1-2-7)8(6)3-4-8/h6,9H,1-5H2
InChIKeyURYINZIMUWFPJK-UHFFFAOYSA-N
MW124.18 g/mol
LogP1.17
Rot. Bonds1

About dispiro[2.0.24.13]heptan-7-ylmethanol

dispiro[2.0.24.13]heptan-7-ylmethanol (PubChem CID 11018862) has the molecular formula C8H12O and a molecular weight of 124.18 g/mol. Its IUPAC name is dispiro[2.0.24.13]heptan-7-ylmethanol.

Molecular Properties

Compound Namedispiro[2.0.24.13]heptan-7-ylmethanol
PubChem CID11018862
Molecular FormulaC8H12O
Molecular Weight124.18 g/mol
Exact Mass124.09
IUPAC Namedispiro[2.0.24.13]heptan-7-ylmethanol
SMILESOCC1C2(CC2)C12CC2
InChIInChI=1S/C8H12O/c9-5-6-7(1-2-7)8(6)3-4-8/h6,9H,1-5H2
InChIKeyURYINZIMUWFPJK-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

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Frequently Asked Questions

What is the IUPAC name of dispiro[2.0.24.13]heptan-7-ylmethanol?
The IUPAC name of dispiro[2.0.24.13]heptan-7-ylmethanol (CID 11018862) is dispiro[2.0.24.13]heptan-7-ylmethanol.
What is the SMILES notation for dispiro[2.0.24.13]heptan-7-ylmethanol?
The canonical SMILES for dispiro[2.0.24.13]heptan-7-ylmethanol is OCC1C2(CC2)C12CC2.
What is the InChIKey of dispiro[2.0.24.13]heptan-7-ylmethanol?
The InChIKey is URYINZIMUWFPJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O/c9-5-6-7(1-2-7)8(6)3-4-8/h6,9H,1-5H2.
What are the key properties of dispiro[2.0.24.13]heptan-7-ylmethanol?
dispiro[2.0.24.13]heptan-7-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-7-ylmethanol is sourced from PubChem (CID 11018862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).