1,4-dioxaspiro[4.5]decan-8-ylmethanol

C9H16O3 — CID 10080838

IUPAC1,4-dioxaspiro[4.5]decan-8-ylmethanol
SMILESOCC1CCC2(CC1)OCCO2
InChIInChI=1S/C9H16O3/c10-7-8-1-3-9(4-2-8)11-5-6-12-9/h8,10H,1-7H2
InChIKeyYXNMORHRGMYQKF-UHFFFAOYSA-N
MW172.22 g/mol
LogP0.91
Rot. Bonds1

About 1,4-dioxaspiro[4.5]decan-8-ylmethanol

1,4-dioxaspiro[4.5]decan-8-ylmethanol (PubChem CID 10080838) has the molecular formula C9H16O3 and a molecular weight of 172.22 g/mol. Its IUPAC name is 1,4-dioxaspiro[4.5]decan-8-ylmethanol.

Molecular Properties

Compound Name1,4-dioxaspiro[4.5]decan-8-ylmethanol
PubChem CID10080838
Molecular FormulaC9H16O3
Molecular Weight172.22 g/mol
Exact Mass172.11
IUPAC Name1,4-dioxaspiro[4.5]decan-8-ylmethanol
SMILESOCC1CCC2(CC1)OCCO2
InChIInChI=1S/C9H16O3/c10-7-8-1-3-9(4-2-8)11-5-6-12-9/h8,10H,1-7H2
InChIKeyYXNMORHRGMYQKF-UHFFFAOYSA-N
XLogP0.91
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 ≤ 50.91
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-8-ylmethanol?
The IUPAC name of 1,4-dioxaspiro[4.5]decan-8-ylmethanol (CID 10080838) is 1,4-dioxaspiro[4.5]decan-8-ylmethanol.
What is the SMILES notation for 1,4-dioxaspiro[4.5]decan-8-ylmethanol?
The canonical SMILES for 1,4-dioxaspiro[4.5]decan-8-ylmethanol is OCC1CCC2(CC1)OCCO2.
What is the InChIKey of 1,4-dioxaspiro[4.5]decan-8-ylmethanol?
The InChIKey is YXNMORHRGMYQKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O3/c10-7-8-1-3-9(4-2-8)11-5-6-12-9/h8,10H,1-7H2.
What are the key properties of 1,4-dioxaspiro[4.5]decan-8-ylmethanol?
1,4-dioxaspiro[4.5]decan-8-ylmethanol has a molecular weight of 172.22 g/mol, XLogP of 0.91, 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-8-ylmethanol is sourced from PubChem (CID 10080838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).