Chemical ID: 4963341

CCCC(C)(C)COC(=O)C(C)C
Chemical ID:
4963341
Name [?]:
2,2-dimethylpentyl 2-methylpropanoate
SMILES [?]:
CCCC(C)(C)COC(=O)C(C)C
InChi [?]:
InChI=1/C11H22O2/c1-6-7-11(4,5)8-13-10(12)9(2)3/h9H,6-8H2,1-5H3
InChi Info:
AuxInfo=1/0/N:1,12,13,5,6,2,3,7,11,9,4,10,8/E:(2,3)(4,5)/rA:13nCCCCCCCOCOCCC/rB:s1;s2;s3;s4;s4;s4;s7;s8;d9;s9;s11;s11;/rC:;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C11H22O2
All Atoms:13
Heavy Atoms:13
Chiral Atoms:0
ZAP Information [?]
Total:8.51855
Area:392.226
Solvation:-1.28709
Coulombic:-20.4822
Bond Count [?]
All:12
Single:11
Double:1
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:186.291
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:3.4
LogP (Chemaxon):3.57

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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