spiro[3.3]heptan-2-ylmethanol

C8H14O — CID 71777872

IUPACspiro[3.3]heptan-2-ylmethanol
SMILESOCC1CC2(CCC2)C1
InChIInChI=1S/C8H14O/c9-6-7-4-8(5-7)2-1-3-8/h7,9H,1-6H2
InChIKeyGYVSAPVZLUZCBL-UHFFFAOYSA-N
MW126.20 g/mol
LogP1.56
Rot. Bonds1

About spiro[3.3]heptan-2-ylmethanol

spiro[3.3]heptan-2-ylmethanol (PubChem CID 71777872) has the molecular formula C8H14O and a molecular weight of 126.20 g/mol. Its IUPAC name is spiro[3.3]heptan-2-ylmethanol.

Molecular Properties

Compound Namespiro[3.3]heptan-2-ylmethanol
PubChem CID71777872
Molecular FormulaC8H14O
Molecular Weight126.20 g/mol
Exact Mass126.10
IUPAC Namespiro[3.3]heptan-2-ylmethanol
SMILESOCC1CC2(CCC2)C1
InChIInChI=1S/C8H14O/c9-6-7-4-8(5-7)2-1-3-8/h7,9H,1-6H2
InChIKeyGYVSAPVZLUZCBL-UHFFFAOYSA-N
XLogP1.56
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.20
LogP ≤ 51.56
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-ylmethanol?
The IUPAC name of spiro[3.3]heptan-2-ylmethanol (CID 71777872) is spiro[3.3]heptan-2-ylmethanol.
What is the SMILES notation for spiro[3.3]heptan-2-ylmethanol?
The canonical SMILES for spiro[3.3]heptan-2-ylmethanol is OCC1CC2(CCC2)C1.
What is the InChIKey of spiro[3.3]heptan-2-ylmethanol?
The InChIKey is GYVSAPVZLUZCBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O/c9-6-7-4-8(5-7)2-1-3-8/h7,9H,1-6H2.
What are the key properties of spiro[3.3]heptan-2-ylmethanol?
spiro[3.3]heptan-2-ylmethanol has a molecular weight of 126.20 g/mol, XLogP of 1.56, 1 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-ylmethanol is sourced from PubChem (CID 71777872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).