1,7-dioxaspiro[5.5]undecan-4-ol

C9H16O3 — CID 576022

IUPAC1,7-dioxaspiro[5.5]undecan-4-ol
SMILESOC1CCOC2(CCCCO2)C1
InChIInChI=1S/C9H16O3/c10-8-3-6-12-9(7-8)4-1-2-5-11-9/h8,10H,1-7H2
InChIKeyITVCIGAVUFJFJY-UHFFFAOYSA-N
MW172.22 g/mol
LogP1.05
Rot. Bonds

About 1,7-dioxaspiro[5.5]undecan-4-ol

1,7-dioxaspiro[5.5]undecan-4-ol (PubChem CID 576022) has the molecular formula C9H16O3 and a molecular weight of 172.22 g/mol. Its IUPAC name is 1,7-dioxaspiro[5.5]undecan-4-ol.

Molecular Properties

Compound Name1,7-dioxaspiro[5.5]undecan-4-ol
PubChem CID576022
Molecular FormulaC9H16O3
Molecular Weight172.22 g/mol
Exact Mass172.11
IUPAC Name1,7-dioxaspiro[5.5]undecan-4-ol
SMILESOC1CCOC2(CCCCO2)C1
InChIInChI=1S/C9H16O3/c10-8-3-6-12-9(7-8)4-1-2-5-11-9/h8,10H,1-7H2
InChIKeyITVCIGAVUFJFJY-UHFFFAOYSA-N
XLogP1.05
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 ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,7-dioxaspiro[5.5]undecan-4-ol?
The IUPAC name of 1,7-dioxaspiro[5.5]undecan-4-ol (CID 576022) is 1,7-dioxaspiro[5.5]undecan-4-ol.
What is the SMILES notation for 1,7-dioxaspiro[5.5]undecan-4-ol?
The canonical SMILES for 1,7-dioxaspiro[5.5]undecan-4-ol is OC1CCOC2(CCCCO2)C1.
What is the InChIKey of 1,7-dioxaspiro[5.5]undecan-4-ol?
The InChIKey is ITVCIGAVUFJFJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O3/c10-8-3-6-12-9(7-8)4-1-2-5-11-9/h8,10H,1-7H2.
What are the key properties of 1,7-dioxaspiro[5.5]undecan-4-ol?
1,7-dioxaspiro[5.5]undecan-4-ol has a molecular weight of 172.22 g/mol, XLogP of 1.05, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,7-dioxaspiro[5.5]undecan-4-ol is sourced from PubChem (CID 576022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).