spiro[2.5]octan-2-ylmethanol

C9H16O — CID 81358403

IUPACspiro[2.5]octan-2-ylmethanol
SMILESOCC1CC12CCCCC2
InChIInChI=1S/C9H16O/c10-7-8-6-9(8)4-2-1-3-5-9/h8,10H,1-7H2
InChIKeyLRHMMOPOHARQBR-UHFFFAOYSA-N
MW140.23 g/mol
LogP1.95
Rot. Bonds1

About spiro[2.5]octan-2-ylmethanol

spiro[2.5]octan-2-ylmethanol (PubChem CID 81358403) has the molecular formula C9H16O and a molecular weight of 140.23 g/mol. Its IUPAC name is spiro[2.5]octan-2-ylmethanol.

Molecular Properties

Compound Namespiro[2.5]octan-2-ylmethanol
PubChem CID81358403
Molecular FormulaC9H16O
Molecular Weight140.23 g/mol
Exact Mass140.12
IUPAC Namespiro[2.5]octan-2-ylmethanol
SMILESOCC1CC12CCCCC2
InChIInChI=1S/C9H16O/c10-7-8-6-9(8)4-2-1-3-5-9/h8,10H,1-7H2
InChIKeyLRHMMOPOHARQBR-UHFFFAOYSA-N
XLogP1.95
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.23
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of spiro[2.5]octan-2-ylmethanol?
The IUPAC name of spiro[2.5]octan-2-ylmethanol (CID 81358403) is spiro[2.5]octan-2-ylmethanol.
What is the SMILES notation for spiro[2.5]octan-2-ylmethanol?
The canonical SMILES for spiro[2.5]octan-2-ylmethanol is OCC1CC12CCCCC2.
What is the InChIKey of spiro[2.5]octan-2-ylmethanol?
The InChIKey is LRHMMOPOHARQBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O/c10-7-8-6-9(8)4-2-1-3-5-9/h8,10H,1-7H2.
What are the key properties of spiro[2.5]octan-2-ylmethanol?
spiro[2.5]octan-2-ylmethanol has a molecular weight of 140.23 g/mol, XLogP of 1.95, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for spiro[2.5]octan-2-ylmethanol is sourced from PubChem (CID 81358403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).