1,4-dioxaspiro[4.5]decan-3-ylmethanol

C9H16O3 — CID 20128

IUPAC1,4-dioxaspiro[4.5]decan-3-ylmethanol
SMILESOCC1COC2(CCCCC2)O1
InChIInChI=1S/C9H16O3/c10-6-8-7-11-9(12-8)4-2-1-3-5-9/h8,10H,1-7H2
InChIKeyXUGYZVQSZWPABZ-UHFFFAOYSA-N
MW172.22 g/mol
LogP1.05
Rot. Bonds1

About 1,4-dioxaspiro[4.5]decan-3-ylmethanol

1,4-dioxaspiro[4.5]decan-3-ylmethanol (PubChem CID 20128) has the molecular formula C9H16O3 and a molecular weight of 172.22 g/mol. Its IUPAC name is 1,4-dioxaspiro[4.5]decan-3-ylmethanol.

Molecular Properties

Compound Name1,4-dioxaspiro[4.5]decan-3-ylmethanol
PubChem CID20128
Molecular FormulaC9H16O3
Molecular Weight172.22 g/mol
Exact Mass172.11
IUPAC Name1,4-dioxaspiro[4.5]decan-3-ylmethanol
SMILESOCC1COC2(CCCCC2)O1
InChIInChI=1S/C9H16O3/c10-6-8-7-11-9(12-8)4-2-1-3-5-9/h8,10H,1-7H2
InChIKeyXUGYZVQSZWPABZ-UHFFFAOYSA-N
XLogP1.05
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
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 1,4-dioxaspiro[4.5]decan-3-ylmethanol?
The IUPAC name of 1,4-dioxaspiro[4.5]decan-3-ylmethanol (CID 20128) is 1,4-dioxaspiro[4.5]decan-3-ylmethanol.
What is the SMILES notation for 1,4-dioxaspiro[4.5]decan-3-ylmethanol?
The canonical SMILES for 1,4-dioxaspiro[4.5]decan-3-ylmethanol is OCC1COC2(CCCCC2)O1.
What is the InChIKey of 1,4-dioxaspiro[4.5]decan-3-ylmethanol?
The InChIKey is XUGYZVQSZWPABZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O3/c10-6-8-7-11-9(12-8)4-2-1-3-5-9/h8,10H,1-7H2.
What are the key properties of 1,4-dioxaspiro[4.5]decan-3-ylmethanol?
1,4-dioxaspiro[4.5]decan-3-ylmethanol has a molecular weight of 172.22 g/mol, XLogP of 1.05, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dioxaspiro[4.5]decan-3-ylmethanol is sourced from PubChem (CID 20128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).