5,8-dioxaspiro[3.5]nonan-7-ylmethanol

C8H14O3 — CID 155978464

IUPAC5,8-dioxaspiro[3.5]nonan-7-ylmethanol
SMILESOCC1COC2(CCC2)CO1
InChIInChI=1S/C8H14O3/c9-4-7-5-11-8(6-10-7)2-1-3-8/h7,9H,1-6H2
InChIKeySNLNDTANJNMANL-UHFFFAOYSA-N
MW158.20 g/mol
LogP0.32
Rot. Bonds1

About 5,8-dioxaspiro[3.5]nonan-7-ylmethanol

5,8-dioxaspiro[3.5]nonan-7-ylmethanol (PubChem CID 155978464) has the molecular formula C8H14O3 and a molecular weight of 158.20 g/mol. Its IUPAC name is 5,8-dioxaspiro[3.5]nonan-7-ylmethanol.

Molecular Properties

Compound Name5,8-dioxaspiro[3.5]nonan-7-ylmethanol
PubChem CID155978464
Molecular FormulaC8H14O3
Molecular Weight158.20 g/mol
Exact Mass158.09
IUPAC Name5,8-dioxaspiro[3.5]nonan-7-ylmethanol
SMILESOCC1COC2(CCC2)CO1
InChIInChI=1S/C8H14O3/c9-4-7-5-11-8(6-10-7)2-1-3-8/h7,9H,1-6H2
InChIKeySNLNDTANJNMANL-UHFFFAOYSA-N
XLogP0.32
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

molecular iodine;oxiran-2-ylmethanol
CID 159687317
oxiran-2-ylmethanol;propane
CID 91466926
oxiran-2-ylmethanol;propylsilane
CID 174273260
[2-methyl-2-(oxolan-2-yl)-1,3-dioxolan-4-yl]methanol
CID 117168913
cyanic acid;oxiran-2-ylmethanol
CID 175278425
oxiran-2-ylmethanol;phosphoric acid
CID 87891587
2-oxa-8-azaspiro[4.5]decan-3-ylmethanol
CID 57368663
(8-methyl-1,7-dioxaspiro[4.4]nonan-2-yl)methanol
CID 131249079
1-oxaspiro[2.7]decane
CID 13240757
(5-amino-1,4-dioxan-2-yl)methanol
CID 155158463
2-methylpropan-1-ol;oxiran-2-ylmethanol
CID 174774669
(3S)-1-oxaspiro[4.4]nonan-3-ol
CID 124707938

Frequently Asked Questions

What is the IUPAC name of 5,8-dioxaspiro[3.5]nonan-7-ylmethanol?
The IUPAC name of 5,8-dioxaspiro[3.5]nonan-7-ylmethanol (CID 155978464) is 5,8-dioxaspiro[3.5]nonan-7-ylmethanol.
What is the SMILES notation for 5,8-dioxaspiro[3.5]nonan-7-ylmethanol?
The canonical SMILES for 5,8-dioxaspiro[3.5]nonan-7-ylmethanol is OCC1COC2(CCC2)CO1.
What is the InChIKey of 5,8-dioxaspiro[3.5]nonan-7-ylmethanol?
The InChIKey is SNLNDTANJNMANL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O3/c9-4-7-5-11-8(6-10-7)2-1-3-8/h7,9H,1-6H2.
What are the key properties of 5,8-dioxaspiro[3.5]nonan-7-ylmethanol?
5,8-dioxaspiro[3.5]nonan-7-ylmethanol has a molecular weight of 158.20 g/mol, XLogP of 0.32, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,8-dioxaspiro[3.5]nonan-7-ylmethanol is sourced from PubChem (CID 155978464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).