Chemical ID: 5093918

CCCCCCC(C)c1ccccc1O
Chemical ID:
5093918
Name [?]:
2-(1-methylheptyl)phenol
SMILES [?]:
CCCCCCC(C)c1ccccc1O
InChi [?]:
InChI=1/C14H22O/c1-3-4-5-6-9-12(2)13-10-7-8-11-14(13)15/h7-8,10-12,15H,3-6,9H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,8,2,3,4,5,11,12,6,10,13,7,9,14,15/rA:15cCCCCCCCCCCCCCCO/rB:s1;s2;s3;s4;s5;s6;s7;s7;s9;d10;s11;d12;d9s13;s14;/rC:;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H22O
All Atoms:15
Heavy Atoms:15
Chiral Atoms:1
ZAP Information [?]
Total:9.37654
Area:428.85
Solvation:-1.34471
Coulombic:-19.7358
Bond Count [?]
All:15
Single:12
Double:3
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:206.324
H-Bond Donors:1
H-Bond Acceptors:1
XLogP:5.65
LogP (Chemaxon):4.94

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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