Chemical ID: 5115034

CCCC(C)(CO)COC(=O)N
Chemical ID:
5115034
Name [?]:
[2-(hydroxymethyl)-2-methyl-pentyl] aminoformate
SMILES [?]:
CCCC(C)(CO)COC(=O)N
InChi [?]:
InChI=1/C8H17NO3/c1-3-4-8(2,5-10)6-12-7(9)11/h10H,3-6H2,1-2H3,(H2,9,11)
InChi Info:
AuxInfo=1/1/N:1,5,2,3,6,8,10,4,12,7,11,9/rA:12cCCCCCCOCOCON/rB:s1;s2;s3;s4;s4;s6;s4;s8;s9;d10;s10;/rC:;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C8H17NO3
All Atoms:12
Heavy Atoms:12
Chiral Atoms:1
ZAP Information [?]
Total:6.66792
Area:360.941
Solvation:-2.35561
Coulombic:-55.1167
Bond Count [?]
All:11
Single:10
Double:1
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:175.226
H-Bond Donors:3
H-Bond Acceptors:4
XLogP:0.84
LogP (Chemaxon):1.1

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Experimental Annotations

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Descriptor Annotations

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