5-butyl-6-ethyl-2,4,6-trimethyl-5-propan-2-ylnonane

C21H44 — CID 23508564

IUPAC5-butyl-6-ethyl-2,4,6-trimethyl-5-propan-2-ylnonane
SMILESCCCCC(C(C)C)(C(C)CC(C)C)C(C)(CC)CCC
InChIInChI=1S/C21H44/c1-10-13-15-21(18(6)7,19(8)16-17(4)5)20(9,12-3)14-11-2/h17-19H,10-16H2,1-9H3
InChIKeyNVDFVBWTOUPRBW-UHFFFAOYSA-N
MW296.58 g/mol
LogP7.72
Rot. Bonds11

About 5-butyl-6-ethyl-2,4,6-trimethyl-5-propan-2-ylnonane

5-butyl-6-ethyl-2,4,6-trimethyl-5-propan-2-ylnonane (PubChem CID 23508564) has the molecular formula C21H44 and a molecular weight of 296.58 g/mol. Its IUPAC name is 5-butyl-6-ethyl-2,4,6-trimethyl-5-propan-2-ylnonane.

Molecular Properties

Compound Name5-butyl-6-ethyl-2,4,6-trimethyl-5-propan-2-ylnonane
PubChem CID23508564
Molecular FormulaC21H44
Molecular Weight296.58 g/mol
Exact Mass296.34
IUPAC Name5-butyl-6-ethyl-2,4,6-trimethyl-5-propan-2-ylnonane
SMILESCCCCC(C(C)C)(C(C)CC(C)C)C(C)(CC)CCC
InChIInChI=1S/C21H44/c1-10-13-15-21(18(6)7,19(8)16-17(4)5)20(9,12-3)14-11-2/h17-19H,10-16H2,1-9H3
InChIKeyNVDFVBWTOUPRBW-UHFFFAOYSA-N
XLogP7.72
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500296.58
LogP ≤ 57.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2,4,5,5-tetramethyloctane
CID 19844451
2,2-dimethylhexane;2,4-dimethylpentane;ethane
CID 145269635
4-ethyl-4,5,5-trimethylnonane
CID 57492041
2,4-dimethyl-4-propyloctane
CID 57491235
2,4-dimethylpentane;pentane
CID 161023213
3-methyl-3-(trifluoromethyl)heptane
CID 142541633
2,6,7,7-tetramethyl-6-(3-methylhexan-3-yl)decane
CID 59297460
3-ethyl-5,6,6-trimethyldecane
CID 123403358
4,5-dimethyl-5-propylnonane;ethane
CID 144518109
2,2-dimethylbutane;2-methylbutane;pentane
CID 158103656
(3S)-3-ethyl-2,3-dimethylhexane
CID 158040075
hexane;2,3,4-trimethylpentan-3-amine
CID 174790441

Frequently Asked Questions

What is the IUPAC name of 5-butyl-6-ethyl-2,4,6-trimethyl-5-propan-2-ylnonane?
The IUPAC name of 5-butyl-6-ethyl-2,4,6-trimethyl-5-propan-2-ylnonane (CID 23508564) is 5-butyl-6-ethyl-2,4,6-trimethyl-5-propan-2-ylnonane.
What is the SMILES notation for 5-butyl-6-ethyl-2,4,6-trimethyl-5-propan-2-ylnonane?
The canonical SMILES for 5-butyl-6-ethyl-2,4,6-trimethyl-5-propan-2-ylnonane is CCCCC(C(C)C)(C(C)CC(C)C)C(C)(CC)CCC.
What is the InChIKey of 5-butyl-6-ethyl-2,4,6-trimethyl-5-propan-2-ylnonane?
The InChIKey is NVDFVBWTOUPRBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H44/c1-10-13-15-21(18(6)7,19(8)16-17(4)5)20(9,12-3)14-11-2/h17-19H,10-16H2,1-9H3.
What are the key properties of 5-butyl-6-ethyl-2,4,6-trimethyl-5-propan-2-ylnonane?
5-butyl-6-ethyl-2,4,6-trimethyl-5-propan-2-ylnonane has a molecular weight of 296.58 g/mol, XLogP of 7.72, 11 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butyl-6-ethyl-2,4,6-trimethyl-5-propan-2-ylnonane is sourced from PubChem (CID 23508564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).