2-dispiro[2.0.24.13]heptan-7-ylethanol

C9H14O — CID 134587359

IUPAC2-dispiro[2.0.24.13]heptan-7-ylethanol
SMILESOCCC1C2(CC2)C12CC2
InChIInChI=1S/C9H14O/c10-6-1-7-8(2-3-8)9(7)4-5-9/h7,10H,1-6H2
InChIKeyCMIVBAWGGHMXKJ-UHFFFAOYSA-N
MW138.21 g/mol
LogP1.56
Rot. Bonds2

About 2-dispiro[2.0.24.13]heptan-7-ylethanol

2-dispiro[2.0.24.13]heptan-7-ylethanol (PubChem CID 134587359) has the molecular formula C9H14O and a molecular weight of 138.21 g/mol. Its IUPAC name is 2-dispiro[2.0.24.13]heptan-7-ylethanol.

Molecular Properties

Compound Name2-dispiro[2.0.24.13]heptan-7-ylethanol
PubChem CID134587359
Molecular FormulaC9H14O
Molecular Weight138.21 g/mol
Exact Mass138.10
IUPAC Name2-dispiro[2.0.24.13]heptan-7-ylethanol
SMILESOCCC1C2(CC2)C12CC2
InChIInChI=1S/C9H14O/c10-6-1-7-8(2-3-8)9(7)4-5-9/h7,10H,1-6H2
InChIKeyCMIVBAWGGHMXKJ-UHFFFAOYSA-N
XLogP1.56
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.21
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-dispiro[2.0.24.13]heptan-7-ylethanol?
The IUPAC name of 2-dispiro[2.0.24.13]heptan-7-ylethanol (CID 134587359) is 2-dispiro[2.0.24.13]heptan-7-ylethanol.
What is the SMILES notation for 2-dispiro[2.0.24.13]heptan-7-ylethanol?
The canonical SMILES for 2-dispiro[2.0.24.13]heptan-7-ylethanol is OCCC1C2(CC2)C12CC2.
What is the InChIKey of 2-dispiro[2.0.24.13]heptan-7-ylethanol?
The InChIKey is CMIVBAWGGHMXKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O/c10-6-1-7-8(2-3-8)9(7)4-5-9/h7,10H,1-6H2.
What are the key properties of 2-dispiro[2.0.24.13]heptan-7-ylethanol?
2-dispiro[2.0.24.13]heptan-7-ylethanol has a molecular weight of 138.21 g/mol, XLogP of 1.56, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dispiro[2.0.24.13]heptan-7-ylethanol is sourced from PubChem (CID 134587359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).