Chemical ID: 4556180

CC1CCCCCCCCCCCCCOC1=O
Chemical ID:
4556180
Name [?]:
3-methyl-1-oxacyclohexadecan-2-one
SMILES [?]:
CC1CCCCCCCCCCCCCOC1=O
InChi [?]:
InChI=1/C16H30O2/c1-15-13-11-9-7-5-3-2-4-6-8-10-12-14-18-16(15)17/h15H,2-14H2,1H3
InChi Info:
AuxInfo=1/0/N:1,9,8,10,7,11,6,12,5,13,4,14,3,15,2,17,18,16/rA:18cCCCCCCCCCCCCCCCOCO/rB:s1;s2;s3;s4;s5;s6;s7;s8;s9;s10;s11;s12;s13;s14;s15;s2s16;d17;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H30O2
All Atoms:18
Heavy Atoms:18
Chiral Atoms:1
ZAP Information [?]
Total:8.75773
Area:444.059
Solvation:-2.34375
Coulombic:-20.4271
Bond Count [?]
All:18
Single:17
Double:1
Rotors:0
Chiral:0
Rigid Segments:1
Chemical Properties
Molecular Weight:254.408
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:6.35
LogP (Chemaxon):4.93

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Descriptor Annotations

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