Chemical ID: 4777760

c1ccc2c(c1)CCC(=CC3CCCCC3)C2=O
Chemical ID:
4777760
Name [?]:
2-(cyclohexylmethylene)tetralin-1-one
SMILES [?]:
c1ccc2c(c1)CCC(=CC3CCCCC3)C2=O
InChi [?]:
InChI=1/C17H20O/c18-17-15(12-13-6-2-1-3-7-13)11-10-14-8-4-5-9-16(14)17/h4-5,8-9,12-13H,1-3,6-7,10-11H2
InChi Info:
AuxInfo=1/0/N:14,13,15,1,2,12,16,6,3,7,8,10,11,5,9,4,17,18/E:(2,3)(6,7)/rA:18nCCCCCCCCCCCCCCCCCO/rB:s1;d2;s3;d4;d1s5;s5;s7;s8;w9;s10;s11;s12;s13;s14;s11s15;s4s9;d17;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H20O
All Atoms:18
Heavy Atoms:18
Chiral Atoms:0
ZAP Information [?]
Total:9.34235
Area:430.481
Solvation:-1.41968
Coulombic:-12.0682
Bond Count [?]
All:20
Single:15
Double:5
Rotors:1
Chiral:1
Rigid Segments:2
Chemical Properties
Molecular Weight:240.34
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:5.04
LogP (Chemaxon):4.45

Name Annotations

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Descriptor Annotations

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