Chemical ID: 5135527

C1CCCC(CC1)(C2(CCCCCC2)O)O
Chemical ID:
5135527
Name [?]:
1-(1-hydroxycycloheptyl)cycloheptan-1-ol
SMILES [?]:
C1CCCC(CC1)(C2(CCCCCC2)O)O
InChi [?]:
InChI=1/C14H26O2/c15-13(9-5-1-2-6-10-13)14(16)11-7-3-4-8-12-14/h15-16H,1-12H2
InChi Info:
AuxInfo=1/0/N:1,2,11,12,7,3,10,13,6,4,9,14,5,8,16,15/E:(1,2,3,4)(5,6,7,8)(9,10,11,12)(13,14)(15,16)/rA:16nCCCCCCCCCCCCCCOO/rB:s1;s2;s3;s4;s5;s1s6;s5;s8;s9;s10;s11;s12;s8s13;s8;s5;/rC:;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H26O2
All Atoms:16
Heavy Atoms:16
Chiral Atoms:0
ZAP Information [?]
Total:7.52976
Area:376.398
Solvation:-1.88019
Coulombic:-36.0601
Bond Count [?]
All:17
Single:17
Double:0
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:226.355
H-Bond Donors:2
H-Bond Acceptors:2
XLogP:4.0
LogP (Chemaxon):2.73

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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