chloromethane;4-(2-chloropropyl)-1-oxa-4-azaspiro[4.5]decane;methanol

C13H27Cl2NO2 — CID 142248928

IUPACchloromethane;4-(2-chloropropyl)-1-oxa-4-azaspiro[4.5]decane;methanol
SMILESCC(Cl)CN1CCOC12CCCCC2.CCl.CO
InChIInChI=1S/C11H20ClNO.CH3Cl.CH4O/c1-10(12)9-13-7-8-14-11(13)5-3-2-4-6-11;2*1-2/h10H,2-9H2,1H3;1H3;2H,1H3
InChIKeyYAAODGFKBHHOPO-UHFFFAOYSA-N
MW300.27 g/mol
LogP3.07
Rot. Bonds2

About chloromethane;4-(2-chloropropyl)-1-oxa-4-azaspiro[4.5]decane;methanol

chloromethane;4-(2-chloropropyl)-1-oxa-4-azaspiro[4.5]decane;methanol (PubChem CID 142248928) has the molecular formula C13H27Cl2NO2 and a molecular weight of 300.27 g/mol. Its IUPAC name is chloromethane;4-(2-chloropropyl)-1-oxa-4-azaspiro[4.5]decane;methanol.

Molecular Properties

Compound Namechloromethane;4-(2-chloropropyl)-1-oxa-4-azaspiro[4.5]decane;methanol
PubChem CID142248928
Molecular FormulaC13H27Cl2NO2
Molecular Weight300.27 g/mol
Exact Mass299.14
IUPAC Namechloromethane;4-(2-chloropropyl)-1-oxa-4-azaspiro[4.5]decane;methanol
SMILESCC(Cl)CN1CCOC12CCCCC2.CCl.CO
InChIInChI=1S/C11H20ClNO.CH3Cl.CH4O/c1-10(12)9-13-7-8-14-11(13)5-3-2-4-6-11;2*1-2/h10H,2-9H2,1H3;1H3;2H,1H3
InChIKeyYAAODGFKBHHOPO-UHFFFAOYSA-N
XLogP3.07
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.27
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-(1-oxa-4-azaspiro[4.6]undecan-4-yl)ethanol
CID 13270979
1-ethyl-5-oxa-1-azaspiro[3.4]octane
CID 144689106
8-methyl-5-oxa-8-azaspiro[3.4]octane
CID 123313806
2,2-dimethyl-3-(2-methylpropyl)-1,3-oxazolidine
CID 174923800
1-oxa-4-azaspiro[4.5]decan-4-yl-(4-propan-2-yloxyphenyl)methanone
CID 46299696
(9-methyl-1-oxa-4,9-diazaspiro[4.5]decan-4-yl)methanethiol
CID 123337041
(2R)-2-chloro-1-[(5R)-6-oxa-2-azaspiro[4.5]decan-2-yl]propan-1-one
CID 129494213
1-(2-chloropropyl)pyrrolidine
CID 3020097
2-(6-oxa-9-azaspiro[4.5]decan-9-yl)-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)acetamide
CID 139008544
1-(1-morpholin-4-ylcyclopentyl)propan-1-ol
CID 79060024
3-methyl-1-(1-morpholin-4-ylcyclopentyl)hexan-1-ol
CID 79060616
(2S)-N-(1-cyanocyclopropyl)-4,4-difluoro-2-(1-oxa-4-azaspiro[4.5]decan-4-yl)pentanamide
CID 150190687

Frequently Asked Questions

What is the IUPAC name of chloromethane;4-(2-chloropropyl)-1-oxa-4-azaspiro[4.5]decane;methanol?
The IUPAC name of chloromethane;4-(2-chloropropyl)-1-oxa-4-azaspiro[4.5]decane;methanol (CID 142248928) is chloromethane;4-(2-chloropropyl)-1-oxa-4-azaspiro[4.5]decane;methanol.
What is the SMILES notation for chloromethane;4-(2-chloropropyl)-1-oxa-4-azaspiro[4.5]decane;methanol?
The canonical SMILES for chloromethane;4-(2-chloropropyl)-1-oxa-4-azaspiro[4.5]decane;methanol is CC(Cl)CN1CCOC12CCCCC2.CCl.CO.
What is the InChIKey of chloromethane;4-(2-chloropropyl)-1-oxa-4-azaspiro[4.5]decane;methanol?
The InChIKey is YAAODGFKBHHOPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20ClNO.CH3Cl.CH4O/c1-10(12)9-13-7-8-14-11(13)5-3-2-4-6-11;2*1-2/h10H,2-9H2,1H3;1H3;2H,1H3.
What are the key properties of chloromethane;4-(2-chloropropyl)-1-oxa-4-azaspiro[4.5]decane;methanol?
chloromethane;4-(2-chloropropyl)-1-oxa-4-azaspiro[4.5]decane;methanol has a molecular weight of 300.27 g/mol, XLogP of 3.07, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for chloromethane;4-(2-chloropropyl)-1-oxa-4-azaspiro[4.5]decane;methanol is sourced from PubChem (CID 142248928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).