Chemical ID: 4948731

CCCCC(CCCC)(C(C)(C)C)O
Chemical ID:
4948731
Name [?]:
5-tert-butylnonan-5-ol
SMILES [?]:
CCCCC(CCCC)(C(C)(C)C)O
InChi [?]:
InChI=1/C13H28O/c1-6-8-10-13(14,11-9-7-2)12(3,4)5/h14H,6-11H2,1-5H3
InChi Info:
AuxInfo=1/0/N:1,9,11,12,13,2,8,3,7,4,6,10,5,14/E:(1,2)(3,4,5)(6,7)(8,9)(10,11)/rA:14nCCCCCCCCCCCCCO/rB:s1;s2;s3;s4;s5;s6;s7;s8;s5;s10;s10;s10;s5;/rC:;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H28O
All Atoms:14
Heavy Atoms:14
Chiral Atoms:0
ZAP Information [?]
Total:8.96842
Area:403.383
Solvation:-1.11614
Coulombic:-19.9545
Bond Count [?]
All:13
Single:13
Double:0
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:200.361
H-Bond Donors:1
H-Bond Acceptors:1
XLogP:4.84
LogP (Chemaxon):4.47

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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