1,2-dioxaspiro[2.5]octan-6-ylmethanol

C7H12O3 — CID 141153592

IUPAC1,2-dioxaspiro[2.5]octan-6-ylmethanol
SMILESOCC1CCC2(CC1)OO2
InChIInChI=1S/C7H12O3/c8-5-6-1-3-7(4-2-6)9-10-7/h6,8H,1-5H2
InChIKeyQSOIAFIVKXLMQL-UHFFFAOYSA-N
MW144.17 g/mol
LogP0.83
Rot. Bonds1

About 1,2-dioxaspiro[2.5]octan-6-ylmethanol

1,2-dioxaspiro[2.5]octan-6-ylmethanol (PubChem CID 141153592) has the molecular formula C7H12O3 and a molecular weight of 144.17 g/mol. Its IUPAC name is 1,2-dioxaspiro[2.5]octan-6-ylmethanol.

Molecular Properties

Compound Name1,2-dioxaspiro[2.5]octan-6-ylmethanol
PubChem CID141153592
Molecular FormulaC7H12O3
Molecular Weight144.17 g/mol
Exact Mass144.08
IUPAC Name1,2-dioxaspiro[2.5]octan-6-ylmethanol
SMILESOCC1CCC2(CC1)OO2
InChIInChI=1S/C7H12O3/c8-5-6-1-3-7(4-2-6)9-10-7/h6,8H,1-5H2
InChIKeyQSOIAFIVKXLMQL-UHFFFAOYSA-N
XLogP0.83
TPSA45.29 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.17
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'peroxide', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

7,8,15,16-tetraoxadispiro[5.2.59.26]hexadecan-12-ylmethanol
CID 24828450
decane;1,4-dioxaspiro[4.5]decan-8-ylmethanol
CID 162007927
(2R,3R)-8-(hydroxymethyl)-2,3-dimethyl-1,4-dioxaspiro[4.5]decane-2,3-dicarboxylic acid
CID 54007584
(4,4-difluorocyclohexyl)methanol;ethane
CID 162726117
7,8,15,16-tetraoxadispiro[5.2.59.26]hexadecan-12-ylmethanamine
CID 24828451
(4-fluoro-4-methylcyclohexyl)methanol
CID 84649094
CID 155349004
CID 155349004
[4-(hydroxymethyl)cyclohexyl]methanol;oxirane
CID 87065906
1-(fluoromethyl)-4-(hydroxymethyl)cyclohexan-1-ol
CID 168857252
[4-[4-(hydroxymethyl)-1-methylcyclohexyl]cyclohexyl]methanol
CID 129134790
4-(bromomethyl)-1,1-difluorocyclohexane;(4,4-difluorocyclohexyl)methanol
CID 159319848
cyclohept-4-en-1-ylmethanol
CID 12630426

Frequently Asked Questions

What is the IUPAC name of 1,2-dioxaspiro[2.5]octan-6-ylmethanol?
The IUPAC name of 1,2-dioxaspiro[2.5]octan-6-ylmethanol (CID 141153592) is 1,2-dioxaspiro[2.5]octan-6-ylmethanol.
What is the SMILES notation for 1,2-dioxaspiro[2.5]octan-6-ylmethanol?
The canonical SMILES for 1,2-dioxaspiro[2.5]octan-6-ylmethanol is OCC1CCC2(CC1)OO2.
What is the InChIKey of 1,2-dioxaspiro[2.5]octan-6-ylmethanol?
The InChIKey is QSOIAFIVKXLMQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O3/c8-5-6-1-3-7(4-2-6)9-10-7/h6,8H,1-5H2.
What are the key properties of 1,2-dioxaspiro[2.5]octan-6-ylmethanol?
1,2-dioxaspiro[2.5]octan-6-ylmethanol has a molecular weight of 144.17 g/mol, XLogP of 0.83, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dioxaspiro[2.5]octan-6-ylmethanol is sourced from PubChem (CID 141153592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).