3-ethyl-2,3,6,6,7,7,8,8,10-nonamethylundecane

C22H46 — CID 123324624

IUPAC3-ethyl-2,3,6,6,7,7,8,8,10-nonamethylundecane
SMILESCCC(C)(CCC(C)(C)C(C)(C)C(C)(C)CC(C)C)C(C)C
InChIInChI=1S/C22H46/c1-13-22(12,18(4)5)15-14-19(6,7)21(10,11)20(8,9)16-17(2)3/h17-18H,13-16H2,1-12H3
InChIKeyXKABSJALXVPEOD-UHFFFAOYSA-N
MW310.61 g/mol
LogP7.96
Rot. Bonds9

About 3-ethyl-2,3,6,6,7,7,8,8,10-nonamethylundecane

3-ethyl-2,3,6,6,7,7,8,8,10-nonamethylundecane (PubChem CID 123324624) has the molecular formula C22H46 and a molecular weight of 310.61 g/mol. Its IUPAC name is 3-ethyl-2,3,6,6,7,7,8,8,10-nonamethylundecane.

Molecular Properties

Compound Name3-ethyl-2,3,6,6,7,7,8,8,10-nonamethylundecane
PubChem CID123324624
Molecular FormulaC22H46
Molecular Weight310.61 g/mol
Exact Mass310.36
IUPAC Name3-ethyl-2,3,6,6,7,7,8,8,10-nonamethylundecane
SMILESCCC(C)(CCC(C)(C)C(C)(C)C(C)(C)CC(C)C)C(C)C
InChIInChI=1S/C22H46/c1-13-22(12,18(4)5)15-14-19(6,7)21(10,11)20(8,9)16-17(2)3/h17-18H,13-16H2,1-12H3
InChIKeyXKABSJALXVPEOD-UHFFFAOYSA-N
XLogP7.96
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.61
LogP ≤ 57.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

3-ethyl-2,3,5-trimethylhexane
CID 53428900
3-ethyl-2,3,6-trimethylheptane
CID 53428909
(3S)-3-ethyl-2,3-dimethylhexane
CID 158040075
(4S)-2,4-dimethyl-4-propan-2-ylheptane
CID 58432708
3-ethyl-2,3-dimethylnonane
CID 57490996
3-ethyl-2,3-dimethyldecane
CID 57491701
5-ethyl-2,2,3,3,5,6-hexamethylheptane
CID 123276351
3-ethyl-3,5-dimethylhexan-2-amine
CID 146359872
2,4,6-trimethyl-4-propan-2-ylnonane
CID 90931226
2,2-difluoro-3,3,5-trimethylhexane
CID 157101108
3-ethyl-2,5-dimethyl-3-propan-2-ylhexane
CID 57491485
3,3,4,4,5,5-hexamethylheptane
CID 22899431

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2,3,6,6,7,7,8,8,10-nonamethylundecane?
The IUPAC name of 3-ethyl-2,3,6,6,7,7,8,8,10-nonamethylundecane (CID 123324624) is 3-ethyl-2,3,6,6,7,7,8,8,10-nonamethylundecane.
What is the SMILES notation for 3-ethyl-2,3,6,6,7,7,8,8,10-nonamethylundecane?
The canonical SMILES for 3-ethyl-2,3,6,6,7,7,8,8,10-nonamethylundecane is CCC(C)(CCC(C)(C)C(C)(C)C(C)(C)CC(C)C)C(C)C.
What is the InChIKey of 3-ethyl-2,3,6,6,7,7,8,8,10-nonamethylundecane?
The InChIKey is XKABSJALXVPEOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H46/c1-13-22(12,18(4)5)15-14-19(6,7)21(10,11)20(8,9)16-17(2)3/h17-18H,13-16H2,1-12H3.
What are the key properties of 3-ethyl-2,3,6,6,7,7,8,8,10-nonamethylundecane?
3-ethyl-2,3,6,6,7,7,8,8,10-nonamethylundecane has a molecular weight of 310.61 g/mol, XLogP of 7.96, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2,3,6,6,7,7,8,8,10-nonamethylundecane is sourced from PubChem (CID 123324624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).