spiro[3.3]heptan-2-ol

C7H12O — CID 70647795

IUPACspiro[3.3]heptan-2-ol
SMILESOC1CC2(CCC2)C1
InChIInChI=1S/C7H12O/c8-6-4-7(5-6)2-1-3-7/h6,8H,1-5H2
InChIKeySLBGAAXUJGPVSV-UHFFFAOYSA-N
MW112.17 g/mol
LogP1.31
Rot. Bonds

About spiro[3.3]heptan-2-ol

spiro[3.3]heptan-2-ol (PubChem CID 70647795) has the molecular formula C7H12O and a molecular weight of 112.17 g/mol. Its IUPAC name is spiro[3.3]heptan-2-ol.

Molecular Properties

Compound Namespiro[3.3]heptan-2-ol
PubChem CID70647795
Molecular FormulaC7H12O
Molecular Weight112.17 g/mol
Exact Mass112.09
IUPAC Namespiro[3.3]heptan-2-ol
SMILESOC1CC2(CCC2)C1
InChIInChI=1S/C7H12O/c8-6-4-7(5-6)2-1-3-7/h6,8H,1-5H2
InChIKeySLBGAAXUJGPVSV-UHFFFAOYSA-N
XLogP1.31
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.17
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of spiro[3.3]heptan-2-ol?
The IUPAC name of spiro[3.3]heptan-2-ol (CID 70647795) is spiro[3.3]heptan-2-ol.
What is the SMILES notation for spiro[3.3]heptan-2-ol?
The canonical SMILES for spiro[3.3]heptan-2-ol is OC1CC2(CCC2)C1.
What is the InChIKey of spiro[3.3]heptan-2-ol?
The InChIKey is SLBGAAXUJGPVSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O/c8-6-4-7(5-6)2-1-3-7/h6,8H,1-5H2.
What are the key properties of spiro[3.3]heptan-2-ol?
spiro[3.3]heptan-2-ol has a molecular weight of 112.17 g/mol, XLogP of 1.31, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for spiro[3.3]heptan-2-ol is sourced from PubChem (CID 70647795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).