2-oxaspiro[4.5]decan-3-ylmethanol

C10H18O2 — CID 131409541

IUPAC2-oxaspiro[4.5]decan-3-ylmethanol
SMILESOCC1CC2(CCCCC2)CO1
InChIInChI=1S/C10H18O2/c11-7-9-6-10(8-12-9)4-2-1-3-5-10/h9,11H,1-8H2
InChIKeyQZUMAYPDPJRKMI-UHFFFAOYSA-N
MW170.25 g/mol
LogP1.72
Rot. Bonds1

About 2-oxaspiro[4.5]decan-3-ylmethanol

2-oxaspiro[4.5]decan-3-ylmethanol (PubChem CID 131409541) has the molecular formula C10H18O2 and a molecular weight of 170.25 g/mol. Its IUPAC name is 2-oxaspiro[4.5]decan-3-ylmethanol.

Molecular Properties

Compound Name2-oxaspiro[4.5]decan-3-ylmethanol
PubChem CID131409541
Molecular FormulaC10H18O2
Molecular Weight170.25 g/mol
Exact Mass170.13
IUPAC Name2-oxaspiro[4.5]decan-3-ylmethanol
SMILESOCC1CC2(CCCCC2)CO1
InChIInChI=1S/C10H18O2/c11-7-9-6-10(8-12-9)4-2-1-3-5-10/h9,11H,1-8H2
InChIKeyQZUMAYPDPJRKMI-UHFFFAOYSA-N
XLogP1.72
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.25
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-oxaspiro[4.5]decan-3-ylmethanol?
The IUPAC name of 2-oxaspiro[4.5]decan-3-ylmethanol (CID 131409541) is 2-oxaspiro[4.5]decan-3-ylmethanol.
What is the SMILES notation for 2-oxaspiro[4.5]decan-3-ylmethanol?
The canonical SMILES for 2-oxaspiro[4.5]decan-3-ylmethanol is OCC1CC2(CCCCC2)CO1.
What is the InChIKey of 2-oxaspiro[4.5]decan-3-ylmethanol?
The InChIKey is QZUMAYPDPJRKMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O2/c11-7-9-6-10(8-12-9)4-2-1-3-5-10/h9,11H,1-8H2.
What are the key properties of 2-oxaspiro[4.5]decan-3-ylmethanol?
2-oxaspiro[4.5]decan-3-ylmethanol has a molecular weight of 170.25 g/mol, XLogP of 1.72, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxaspiro[4.5]decan-3-ylmethanol is sourced from PubChem (CID 131409541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).