(2-methyl-5,8-dioxa-2-azaspiro[3.4]octan-7-yl)methanol

C7H13NO3 — CID 22967026

IUPAC(2-methyl-5,8-dioxa-2-azaspiro[3.4]octan-7-yl)methanol
SMILESCN1CC2(C1)OCC(CO)O2
InChIInChI=1S/C7H13NO3/c1-8-4-7(5-8)10-3-6(2-9)11-7/h6,9H,2-5H2,1H3
InChIKeyXTJGWBTZCUKIHD-UHFFFAOYSA-N
MW159.18 g/mol
LogP-0.96
Rot. Bonds1

About (2-methyl-5,8-dioxa-2-azaspiro[3.4]octan-7-yl)methanol

(2-methyl-5,8-dioxa-2-azaspiro[3.4]octan-7-yl)methanol (PubChem CID 22967026) has the molecular formula C7H13NO3 and a molecular weight of 159.18 g/mol. Its IUPAC name is (2-methyl-5,8-dioxa-2-azaspiro[3.4]octan-7-yl)methanol.

Molecular Properties

Compound Name(2-methyl-5,8-dioxa-2-azaspiro[3.4]octan-7-yl)methanol
PubChem CID22967026
Molecular FormulaC7H13NO3
Molecular Weight159.18 g/mol
Exact Mass159.09
IUPAC Name(2-methyl-5,8-dioxa-2-azaspiro[3.4]octan-7-yl)methanol
SMILESCN1CC2(C1)OCC(CO)O2
InChIInChI=1S/C7H13NO3/c1-8-4-7(5-8)10-3-6(2-9)11-7/h6,9H,2-5H2,1H3
InChIKeyXTJGWBTZCUKIHD-UHFFFAOYSA-N
XLogP-0.96
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.18
LogP ≤ 5-0.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethane;7-ethyl-2-methyl-5,8-dioxa-2-azaspiro[3.4]octane
CID 144742109
[(3R)-8-hydroxy-7,7,9,9-tetramethyl-1,4-dioxa-8-azaspiro[4.5]decan-3-yl]methanol
CID 99492998
(2-methyl-2-oxido-5,8-dioxa-2-azoniaspiro[3.4]octan-7-yl)methanol
CID 22967024
(7,7-diethyl-8-hydroxy-9,9-dimethyl-1,4-dioxa-8-azaspiro[4.5]decan-3-yl)methanol
CID 68841232
(8-benzyl-7,7,9,9-tetramethyl-1,4-dioxa-8-azaspiro[4.5]decan-3-yl)methanol
CID 70588218
[(4S)-2-(chloromethyl)-2-methyl-1,3-dioxolan-4-yl]methanol
CID 71445983
(2-methyl-2-prop-1-en-2-yl-1,3-dioxolan-4-yl)methanol
CID 130147634
[8-(oxiran-2-ylmethoxy)-1,4-dioxaspiro[4.5]decan-3-yl]methanol
CID 87061012
[8-(4,6-dimethoxypyrimidin-2-yl)-1,4-dioxa-8-azaspiro[4.5]decan-3-yl]methanol
CID 66701514
(2,2-dimethyl-1,3-dioxolan-4-yl)methanol;1,3-dioxolane
CID 67855478
bis[(7,7,8,9,9-pentamethyl-1,4-dioxa-8-azaspiro[4.5]decan-3-yl)methyl] carbonate
CID 54042397
[(2R,4S)-2-methyl-2-(3-methylbut-2-enyl)-1,3-dioxolan-4-yl]methanol
CID 131089318

Frequently Asked Questions

What is the IUPAC name of (2-methyl-5,8-dioxa-2-azaspiro[3.4]octan-7-yl)methanol?
The IUPAC name of (2-methyl-5,8-dioxa-2-azaspiro[3.4]octan-7-yl)methanol (CID 22967026) is (2-methyl-5,8-dioxa-2-azaspiro[3.4]octan-7-yl)methanol.
What is the SMILES notation for (2-methyl-5,8-dioxa-2-azaspiro[3.4]octan-7-yl)methanol?
The canonical SMILES for (2-methyl-5,8-dioxa-2-azaspiro[3.4]octan-7-yl)methanol is CN1CC2(C1)OCC(CO)O2.
What is the InChIKey of (2-methyl-5,8-dioxa-2-azaspiro[3.4]octan-7-yl)methanol?
The InChIKey is XTJGWBTZCUKIHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO3/c1-8-4-7(5-8)10-3-6(2-9)11-7/h6,9H,2-5H2,1H3.
What are the key properties of (2-methyl-5,8-dioxa-2-azaspiro[3.4]octan-7-yl)methanol?
(2-methyl-5,8-dioxa-2-azaspiro[3.4]octan-7-yl)methanol has a molecular weight of 159.18 g/mol, XLogP of -0.96, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyl-5,8-dioxa-2-azaspiro[3.4]octan-7-yl)methanol is sourced from PubChem (CID 22967026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).