ethane;7-ethyl-2-methyl-5,8-dioxa-2-azaspiro[3.4]octane

C12H27NO2 — CID 144742109

IUPACethane;7-ethyl-2-methyl-5,8-dioxa-2-azaspiro[3.4]octane
SMILESCC.CC.CCC1COC2(CN(C)C2)O1
InChIInChI=1S/C8H15NO2.2C2H6/c1-3-7-4-10-8(11-7)5-9(2)6-8;2*1-2/h7H,3-6H2,1-2H3;2*1-2H3
InChIKeyKDNITSPCZFMGGQ-UHFFFAOYSA-N
MW217.35 g/mol
LogP2.51
Rot. Bonds1

About ethane;7-ethyl-2-methyl-5,8-dioxa-2-azaspiro[3.4]octane

ethane;7-ethyl-2-methyl-5,8-dioxa-2-azaspiro[3.4]octane (PubChem CID 144742109) has the molecular formula C12H27NO2 and a molecular weight of 217.35 g/mol. Its IUPAC name is ethane;7-ethyl-2-methyl-5,8-dioxa-2-azaspiro[3.4]octane.

Molecular Properties

Compound Nameethane;7-ethyl-2-methyl-5,8-dioxa-2-azaspiro[3.4]octane
PubChem CID144742109
Molecular FormulaC12H27NO2
Molecular Weight217.35 g/mol
Exact Mass217.20
IUPAC Nameethane;7-ethyl-2-methyl-5,8-dioxa-2-azaspiro[3.4]octane
SMILESCC.CC.CCC1COC2(CN(C)C2)O1
InChIInChI=1S/C8H15NO2.2C2H6/c1-3-7-4-10-8(11-7)5-9(2)6-8;2*1-2/h7H,3-6H2,1-2H3;2*1-2H3
InChIKeyKDNITSPCZFMGGQ-UHFFFAOYSA-N
XLogP2.51
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.35
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2-methyl-5,8-dioxa-2-azaspiro[3.4]octan-7-yl)methanol
CID 22967026
3-ethyl-1,4-dioxaspiro[4.4]nonane
CID 20802298
(3S)-3-ethyl-1,4-dioxaspiro[4.5]decane
CID 129156956
3-propyl-1,4-dioxaspiro[4.4]nonane
CID 14592507
ethane;2-methyl-5,8-dioxa-2-azaspiro[3.4]octane
CID 164532769
3,7,7-triethyl-8-hydroxy-9,9-dimethyl-1,4-dioxa-8-azaspiro[4.5]decane
CID 68842482
3-ethyl-8-methyl-1,4-dioxaspiro[4.5]decane-8-carboxylic acid
CID 118342997
2,4-diethyl-2-methyl-1,3-dioxolane
CID 59435311
1-[2-(8-tert-butyl-1,4-dioxaspiro[4.5]decan-3-yl)ethyl]-3-ethylpiperidine
CID 14990401
2-(dichloromethyl)-4-ethyl-2-methyl-1,3-dioxolane
CID 19812557
1-[2-[8-(2-methylpentan-2-yl)-1,4-dioxaspiro[4.5]decan-3-yl]ethyl]pyrrolidine
CID 14990393
(4R)-2,2-dimethyl-4-propyl-1,3-dioxolane
CID 59344944

Frequently Asked Questions

What is the IUPAC name of ethane;7-ethyl-2-methyl-5,8-dioxa-2-azaspiro[3.4]octane?
The IUPAC name of ethane;7-ethyl-2-methyl-5,8-dioxa-2-azaspiro[3.4]octane (CID 144742109) is ethane;7-ethyl-2-methyl-5,8-dioxa-2-azaspiro[3.4]octane.
What is the SMILES notation for ethane;7-ethyl-2-methyl-5,8-dioxa-2-azaspiro[3.4]octane?
The canonical SMILES for ethane;7-ethyl-2-methyl-5,8-dioxa-2-azaspiro[3.4]octane is CC.CC.CCC1COC2(CN(C)C2)O1.
What is the InChIKey of ethane;7-ethyl-2-methyl-5,8-dioxa-2-azaspiro[3.4]octane?
The InChIKey is KDNITSPCZFMGGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO2.2C2H6/c1-3-7-4-10-8(11-7)5-9(2)6-8;2*1-2/h7H,3-6H2,1-2H3;2*1-2H3.
What are the key properties of ethane;7-ethyl-2-methyl-5,8-dioxa-2-azaspiro[3.4]octane?
ethane;7-ethyl-2-methyl-5,8-dioxa-2-azaspiro[3.4]octane has a molecular weight of 217.35 g/mol, XLogP of 2.51, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;7-ethyl-2-methyl-5,8-dioxa-2-azaspiro[3.4]octane is sourced from PubChem (CID 144742109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).