Chemical ID: 4963483

CCCC(C)(C)COC(=O)CC(C)C
Chemical ID:
4963483
Name [?]:
2,2-dimethylpentyl 3-methylbutanoate
SMILES [?]:
CCCC(C)(C)COC(=O)CC(C)C
InChi [?]:
InChI=1/C12H24O2/c1-6-7-12(4,5)9-14-11(13)8-10(2)3/h10H,6-9H2,1-5H3
InChi Info:
AuxInfo=1/0/N:1,13,14,5,6,2,3,11,7,12,9,4,10,8/E:(2,3)(4,5)/rA:14nCCCCCCCOCOCCCC/rB:s1;s2;s3;s4;s4;s4;s7;s8;d9;s9;s11;s12;s12;/rC:;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H24O2
All Atoms:14
Heavy Atoms:14
Chiral Atoms:0
ZAP Information [?]
Total:9.10883
Area:416.425
Solvation:-1.30179
Coulombic:-20.4959
Bond Count [?]
All:13
Single:12
Double:1
Rotors:7
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:200.318
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:4.18
LogP (Chemaxon):3.73

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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