4,7-dioxaspiro[2.5]octan-8-ylmethanol

C7H12O3 — CID 54155497

IUPAC4,7-dioxaspiro[2.5]octan-8-ylmethanol
SMILESOCC1OCCOC12CC2
InChIInChI=1S/C7H12O3/c8-5-6-7(1-2-7)10-4-3-9-6/h6,8H,1-5H2
InChIKeyOKTLTRZPRQGIOP-UHFFFAOYSA-N
MW144.17 g/mol
LogP-0.07
Rot. Bonds1

About 4,7-dioxaspiro[2.5]octan-8-ylmethanol

4,7-dioxaspiro[2.5]octan-8-ylmethanol (PubChem CID 54155497) has the molecular formula C7H12O3 and a molecular weight of 144.17 g/mol. Its IUPAC name is 4,7-dioxaspiro[2.5]octan-8-ylmethanol.

Molecular Properties

Compound Name4,7-dioxaspiro[2.5]octan-8-ylmethanol
PubChem CID54155497
Molecular FormulaC7H12O3
Molecular Weight144.17 g/mol
Exact Mass144.08
IUPAC Name4,7-dioxaspiro[2.5]octan-8-ylmethanol
SMILESOCC1OCCOC12CC2
InChIInChI=1S/C7H12O3/c8-5-6-7(1-2-7)10-4-3-9-6/h6,8H,1-5H2
InChIKeyOKTLTRZPRQGIOP-UHFFFAOYSA-N
XLogP-0.07
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.17
LogP ≤ 5-0.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,7-dioxaspiro[2.5]octan-8-ylmethanol?
The IUPAC name of 4,7-dioxaspiro[2.5]octan-8-ylmethanol (CID 54155497) is 4,7-dioxaspiro[2.5]octan-8-ylmethanol.
What is the SMILES notation for 4,7-dioxaspiro[2.5]octan-8-ylmethanol?
The canonical SMILES for 4,7-dioxaspiro[2.5]octan-8-ylmethanol is OCC1OCCOC12CC2.
What is the InChIKey of 4,7-dioxaspiro[2.5]octan-8-ylmethanol?
The InChIKey is OKTLTRZPRQGIOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O3/c8-5-6-7(1-2-7)10-4-3-9-6/h6,8H,1-5H2.
What are the key properties of 4,7-dioxaspiro[2.5]octan-8-ylmethanol?
4,7-dioxaspiro[2.5]octan-8-ylmethanol has a molecular weight of 144.17 g/mol, XLogP of -0.07, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,7-dioxaspiro[2.5]octan-8-ylmethanol is sourced from PubChem (CID 54155497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).