Chemical ID: 4581895

CC1(C2CC=C(C1C2)C=O)C
Chemical ID:
4581895
Name [?]:
7,7-dimethylbicyclo[3.1.1]hept-3-ene-4-carbaldehyde
SMILES [?]:
CC1(C2CC=C(C1C2)C=O)C
InChi [?]:
InChI=1/C10H14O/c1-10(2)8-4-3-7(6-11)9(10)5-8/h3,6,8-9H,4-5H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,11,5,4,8,9,6,3,7,2,10/E:(1,2)/rA:11cCCCCCCCCCOC/rB:s1;s2;s3;s4;d5;s2s6;s3s7;s6;d9;s2;/rC:;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C10H14O
All Atoms:11
Heavy Atoms:11
Chiral Atoms:2
ZAP Information [?]
Total:5.9655
Area:306.002
Solvation:-1.68455
Coulombic:-8.45934
Bond Count [?]
All:12
Single:10
Double:2
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:150.218
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:2.77
LogP (Chemaxon):1.61

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Descriptor Annotations

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