Chemical ID: 4970100

CCC(=CCC1CC=C(C1(C)C)C)C=O
Chemical ID:
4970100
Name [?]:
2-ethyl-4-(2,2,3-trimethyl-1-cyclopent-3-enyl)-but-2-enal
SMILES [?]:
CCC(=CCC1CC=C(C1(C)C)C)C=O
InChi [?]:
InChI=1/C14H22O/c1-5-12(10-15)7-9-13-8-6-11(2)14(13,3)4/h6-7,10,13H,5,8-9H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,13,11,12,2,8,4,7,5,14,9,3,6,10,15/E:(3,4)/rA:15cCCCCCCCCCCCCCCO/rB:s1;s2;w3;s4;s5;s6;s7;d8;s6s9;s10;s10;s9;s3;d14;/rC:;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H22O
All Atoms:15
Heavy Atoms:15
Chiral Atoms:1
ZAP Information [?]
Total:8.32755
Area:406.375
Solvation:-1.83184
Coulombic:-9.78226
Bond Count [?]
All:15
Single:12
Double:3
Rotors:4
Chiral:1
Rigid Segments:4
Chemical Properties
Molecular Weight:206.324
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:3.17
LogP (Chemaxon):3.27

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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