ethane;4-methyl-1,4-oxazepan-6-ol

C8H19NO2 — CID 169236342

IUPACethane;4-methyl-1,4-oxazepan-6-ol
SMILESCC.CN1CCOCC(O)C1
InChIInChI=1S/C6H13NO2.C2H6/c1-7-2-3-9-5-6(8)4-7;1-2/h6,8H,2-5H2,1H3;1-2H3
InChIKeyLVZKTCRUSLKJQW-UHFFFAOYSA-N
MW161.25 g/mol
LogP0.34
Rot. Bonds

About ethane;4-methyl-1,4-oxazepan-6-ol

ethane;4-methyl-1,4-oxazepan-6-ol (PubChem CID 169236342) has the molecular formula C8H19NO2 and a molecular weight of 161.25 g/mol. Its IUPAC name is ethane;4-methyl-1,4-oxazepan-6-ol.

Molecular Properties

Compound Nameethane;4-methyl-1,4-oxazepan-6-ol
PubChem CID169236342
Molecular FormulaC8H19NO2
Molecular Weight161.25 g/mol
Exact Mass161.14
IUPAC Nameethane;4-methyl-1,4-oxazepan-6-ol
SMILESCC.CN1CCOCC(O)C1
InChIInChI=1S/C6H13NO2.C2H6/c1-7-2-3-9-5-6(8)4-7;1-2/h6,8H,2-5H2,1H3;1-2H3
InChIKeyLVZKTCRUSLKJQW-UHFFFAOYSA-N
XLogP0.34
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.25
LogP ≤ 50.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethane;4-methyl-1,4-oxazepan-6-amine
CID 178036626
(6R,7S)-4,7-dimethyl-1,4-oxazocan-6-ol
CID 135232133
(6R,7R)-6-fluoro-4-methyl-1,4-oxazocan-7-ol
CID 122548054
ethane;7-methyl-1,3,4,4a,5,6,8,8a-octahydropyrano[3,4-c]pyridine
CID 164548076
1,4-dimethyl-1,4-diazepan-6-ol
CID 14999065
2-[(4-methyl-1,4-oxazepan-6-yl)oxy]ethanol
CID 118230256
4-methylmorpholin-2-ol;hydrate
CID 175404438
(6R)-4-methyl-6-propan-2-yl-1,4-oxazepane
CID 118445298
ethane;4-methylmorpholine
CID 54432133
6-hydroxy-N-methyl-1,4-oxazepane-4-carboxamide
CID 131062493
ethane;(3R)-oxolan-3-ol
CID 145226146
6-hydroxy-1,4-oxazepane-4-carboxamide
CID 130942569

Frequently Asked Questions

What is the IUPAC name of ethane;4-methyl-1,4-oxazepan-6-ol?
The IUPAC name of ethane;4-methyl-1,4-oxazepan-6-ol (CID 169236342) is ethane;4-methyl-1,4-oxazepan-6-ol.
What is the SMILES notation for ethane;4-methyl-1,4-oxazepan-6-ol?
The canonical SMILES for ethane;4-methyl-1,4-oxazepan-6-ol is CC.CN1CCOCC(O)C1.
What is the InChIKey of ethane;4-methyl-1,4-oxazepan-6-ol?
The InChIKey is LVZKTCRUSLKJQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO2.C2H6/c1-7-2-3-9-5-6(8)4-7;1-2/h6,8H,2-5H2,1H3;1-2H3.
What are the key properties of ethane;4-methyl-1,4-oxazepan-6-ol?
ethane;4-methyl-1,4-oxazepan-6-ol has a molecular weight of 161.25 g/mol, XLogP of 0.34, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-methyl-1,4-oxazepan-6-ol is sourced from PubChem (CID 169236342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).