1,9-dioxaspiro[5.5]undecan-5-ol

C9H16O3 — CID 138046442

IUPAC1,9-dioxaspiro[5.5]undecan-5-ol
SMILESOC1CCCOC12CCOCC2
InChIInChI=1S/C9H16O3/c10-8-2-1-5-12-9(8)3-6-11-7-4-9/h8,10H,1-7H2
InChIKeyMREVNMDSJIDBHA-UHFFFAOYSA-N
MW172.22 g/mol
LogP0.71
Rot. Bonds

About 1,9-dioxaspiro[5.5]undecan-5-ol

1,9-dioxaspiro[5.5]undecan-5-ol (PubChem CID 138046442) has the molecular formula C9H16O3 and a molecular weight of 172.22 g/mol. Its IUPAC name is 1,9-dioxaspiro[5.5]undecan-5-ol.

Molecular Properties

Compound Name1,9-dioxaspiro[5.5]undecan-5-ol
PubChem CID138046442
Molecular FormulaC9H16O3
Molecular Weight172.22 g/mol
Exact Mass172.11
IUPAC Name1,9-dioxaspiro[5.5]undecan-5-ol
SMILESOC1CCCOC12CCOCC2
InChIInChI=1S/C9H16O3/c10-8-2-1-5-12-9(8)3-6-11-7-4-9/h8,10H,1-7H2
InChIKeyMREVNMDSJIDBHA-UHFFFAOYSA-N
XLogP0.71
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.22
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,9-dioxaspiro[5.5]undecan-5-ol?
The IUPAC name of 1,9-dioxaspiro[5.5]undecan-5-ol (CID 138046442) is 1,9-dioxaspiro[5.5]undecan-5-ol.
What is the SMILES notation for 1,9-dioxaspiro[5.5]undecan-5-ol?
The canonical SMILES for 1,9-dioxaspiro[5.5]undecan-5-ol is OC1CCCOC12CCOCC2.
What is the InChIKey of 1,9-dioxaspiro[5.5]undecan-5-ol?
The InChIKey is MREVNMDSJIDBHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O3/c10-8-2-1-5-12-9(8)3-6-11-7-4-9/h8,10H,1-7H2.
What are the key properties of 1,9-dioxaspiro[5.5]undecan-5-ol?
1,9-dioxaspiro[5.5]undecan-5-ol has a molecular weight of 172.22 g/mol, XLogP of 0.71, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,9-dioxaspiro[5.5]undecan-5-ol is sourced from PubChem (CID 138046442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).