2-spiro[2.4]heptan-7-ylethanol

C9H16O — CID 155822523

IUPAC2-spiro[2.4]heptan-7-ylethanol
SMILESOCCC1CCCC12CC2
InChIInChI=1S/C9H16O/c10-7-3-8-2-1-4-9(8)5-6-9/h8,10H,1-7H2
InChIKeyICFFQCJHXDZWMT-UHFFFAOYSA-N
MW140.23 g/mol
LogP1.95
Rot. Bonds2

About 2-spiro[2.4]heptan-7-ylethanol

2-spiro[2.4]heptan-7-ylethanol (PubChem CID 155822523) has the molecular formula C9H16O and a molecular weight of 140.23 g/mol. Its IUPAC name is 2-spiro[2.4]heptan-7-ylethanol.

Molecular Properties

Compound Name2-spiro[2.4]heptan-7-ylethanol
PubChem CID155822523
Molecular FormulaC9H16O
Molecular Weight140.23 g/mol
Exact Mass140.12
IUPAC Name2-spiro[2.4]heptan-7-ylethanol
SMILESOCCC1CCCC12CC2
InChIInChI=1S/C9H16O/c10-7-3-8-2-1-4-9(8)5-6-9/h8,10H,1-7H2
InChIKeyICFFQCJHXDZWMT-UHFFFAOYSA-N
XLogP1.95
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
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 2-spiro[2.4]heptan-7-ylethanol?
The IUPAC name of 2-spiro[2.4]heptan-7-ylethanol (CID 155822523) is 2-spiro[2.4]heptan-7-ylethanol.
What is the SMILES notation for 2-spiro[2.4]heptan-7-ylethanol?
The canonical SMILES for 2-spiro[2.4]heptan-7-ylethanol is OCCC1CCCC12CC2.
What is the InChIKey of 2-spiro[2.4]heptan-7-ylethanol?
The InChIKey is ICFFQCJHXDZWMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O/c10-7-3-8-2-1-4-9(8)5-6-9/h8,10H,1-7H2.
What are the key properties of 2-spiro[2.4]heptan-7-ylethanol?
2-spiro[2.4]heptan-7-ylethanol has a molecular weight of 140.23 g/mol, XLogP of 1.95, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-spiro[2.4]heptan-7-ylethanol is sourced from PubChem (CID 155822523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).