5-butan-2-yl-3-ethyl-4-methylnonane

C16H34 — CID 123762542

IUPAC5-butan-2-yl-3-ethyl-4-methylnonane
SMILESCCCCC(C(C)CC)C(C)C(CC)CC
InChIInChI=1S/C16H34/c1-7-11-12-16(13(5)8-2)14(6)15(9-3)10-4/h13-16H,7-12H2,1-6H3
InChIKeyRWPIADIUSQZJTB-UHFFFAOYSA-N
MW226.45 g/mol
LogP5.91
Rot. Bonds9

About 5-butan-2-yl-3-ethyl-4-methylnonane

5-butan-2-yl-3-ethyl-4-methylnonane (PubChem CID 123762542) has the molecular formula C16H34 and a molecular weight of 226.45 g/mol. Its IUPAC name is 5-butan-2-yl-3-ethyl-4-methylnonane.

Molecular Properties

Compound Name5-butan-2-yl-3-ethyl-4-methylnonane
PubChem CID123762542
Molecular FormulaC16H34
Molecular Weight226.45 g/mol
Exact Mass226.27
IUPAC Name5-butan-2-yl-3-ethyl-4-methylnonane
SMILESCCCCC(C(C)CC)C(C)C(CC)CC
InChIInChI=1S/C16H34/c1-7-11-12-16(13(5)8-2)14(6)15(9-3)10-4/h13-16H,7-12H2,1-6H3
InChIKeyRWPIADIUSQZJTB-UHFFFAOYSA-N
XLogP5.91
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500226.45
LogP ≤ 55.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

3,5-diethyl-4,7,8-trimethyldodecane
CID 123740222
3,5-diethyl-4,6,7-trimethylnonane
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11-butyl-8,10,12-trimethyl-9-pentyltricosane
CID 123560008
4,5-diethylnonane
CID 21188862
9-ethyl-3,4,7-trimethyl-8-pentyltetradecane
CID 91411258
5,6-diethyldodecane
CID 90761715
4-ethyl-3-methylundecane
CID 57279647
3,4-dimethyloctane;ethane;ethene;propane
CID 142827223
4-ethyl-5-pentan-2-yldecane
CID 123912945
3-butan-2-yltetradecan-2-amine
CID 175063584
9-ethyl-11-methyl-10-octylnonadecane
CID 175467695
ethane;(3R)-3-ethyl-2-methylheptane
CID 166461427

Frequently Asked Questions

What is the IUPAC name of 5-butan-2-yl-3-ethyl-4-methylnonane?
The IUPAC name of 5-butan-2-yl-3-ethyl-4-methylnonane (CID 123762542) is 5-butan-2-yl-3-ethyl-4-methylnonane.
What is the SMILES notation for 5-butan-2-yl-3-ethyl-4-methylnonane?
The canonical SMILES for 5-butan-2-yl-3-ethyl-4-methylnonane is CCCCC(C(C)CC)C(C)C(CC)CC.
What is the InChIKey of 5-butan-2-yl-3-ethyl-4-methylnonane?
The InChIKey is RWPIADIUSQZJTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34/c1-7-11-12-16(13(5)8-2)14(6)15(9-3)10-4/h13-16H,7-12H2,1-6H3.
What are the key properties of 5-butan-2-yl-3-ethyl-4-methylnonane?
5-butan-2-yl-3-ethyl-4-methylnonane has a molecular weight of 226.45 g/mol, XLogP of 5.91, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butan-2-yl-3-ethyl-4-methylnonane is sourced from PubChem (CID 123762542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).