Chemical ID: 5074409

CC(CCC(CO)C(C)CC(C)(C)C)CC(C)(C)C
Chemical ID:
5074409
Name [?]:
5,7,7-trimethyl-2-(1,3,3-trimethylbutyl)octan-1-ol
SMILES [?]:
CC(CCC(CO)C(C)CC(C)(C)C)CC(C)(C)C
InChi [?]:
InChI=1/C18H38O/c1-14(11-17(3,4)5)9-10-16(13-19)15(2)12-18(6,7)8/h14-16,19H,9-13H2,1-8H3
InChi Info:
AuxInfo=1/0/N:1,9,17,18,19,12,13,14,3,4,15,10,6,2,8,5,16,11,7/E:(3,4,5)(6,7,8)/rA:19cCCCCCCOCCCCCCCCCCCC/rB:s1;s2;s3;s4;s5;s6;s5;s8;s8;s10;s11;s11;s11;s2;s15;s16;s16;s16;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H38O
All Atoms:19
Heavy Atoms:19
Chiral Atoms:3
ZAP Information [?]
Total:11.3827
Area:505.764
Solvation:-1.26142
Coulombic:-21.1889
Bond Count [?]
All:18
Single:18
Double:0
Rotors:9
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:270.494
H-Bond Donors:1
H-Bond Acceptors:1
XLogP:6.9
LogP (Chemaxon):6.31

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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