2,5,8-trimethyl-4-(2-methylpropyl)nonane

C16H34 — CID 18961431

IUPAC2,5,8-trimethyl-4-(2-methylpropyl)nonane
SMILESCC(C)CCC(C)C(CC(C)C)CC(C)C
InChIInChI=1S/C16H34/c1-12(2)8-9-15(7)16(10-13(3)4)11-14(5)6/h12-16H,8-11H2,1-7H3
InChIKeyZYQAIVDYPQLCKP-UHFFFAOYSA-N
MW226.45 g/mol
LogP5.77
Rot. Bonds8

About 2,5,8-trimethyl-4-(2-methylpropyl)nonane

2,5,8-trimethyl-4-(2-methylpropyl)nonane (PubChem CID 18961431) has the molecular formula C16H34 and a molecular weight of 226.45 g/mol. Its IUPAC name is 2,5,8-trimethyl-4-(2-methylpropyl)nonane.

Molecular Properties

Compound Name2,5,8-trimethyl-4-(2-methylpropyl)nonane
PubChem CID18961431
Molecular FormulaC16H34
Molecular Weight226.45 g/mol
Exact Mass226.27
IUPAC Name2,5,8-trimethyl-4-(2-methylpropyl)nonane
SMILESCC(C)CCC(C)C(CC(C)C)CC(C)C
InChIInChI=1S/C16H34/c1-12(2)8-9-15(7)16(10-13(3)4)11-14(5)6/h12-16H,8-11H2,1-7H3
InChIKeyZYQAIVDYPQLCKP-UHFFFAOYSA-N
XLogP5.77
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500226.45
LogP ≤ 55.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2,5-dimethylhexane;2,4-dimethylpentane;2-methylpropane
CID 158252913
2,5-dimethyl-4-propyloctane
CID 57491236
6-ethyl-2,5-dimethylnonane
CID 54499682
2,9-dimethyl-5,6-bis(3-methylbutyl)decane
CID 139994880
2,5,11-trimethyl-4-propyldodecane
CID 123176237
4-ethyl-2,8-dimethyl-5-propylnonane
CID 143343075
(2S,3R)-2-(18F)fluoro-3,6-dimethylheptane
CID 153412007
1-(3,6-dimethylheptan-2-yl)-2,3-dimethylcyclopropane
CID 123223182
2,13-dimethyl-4-propan-2-yltetradecane
CID 140816601
1-bromo-4-ethyl-5,8-dimethylnonane
CID 89010236
2,8-dimethylnonan-5-amine
CID 15030000
2,4-dimethylpentane
CID 157050020

Frequently Asked Questions

What is the IUPAC name of 2,5,8-trimethyl-4-(2-methylpropyl)nonane?
The IUPAC name of 2,5,8-trimethyl-4-(2-methylpropyl)nonane (CID 18961431) is 2,5,8-trimethyl-4-(2-methylpropyl)nonane.
What is the SMILES notation for 2,5,8-trimethyl-4-(2-methylpropyl)nonane?
The canonical SMILES for 2,5,8-trimethyl-4-(2-methylpropyl)nonane is CC(C)CCC(C)C(CC(C)C)CC(C)C.
What is the InChIKey of 2,5,8-trimethyl-4-(2-methylpropyl)nonane?
The InChIKey is ZYQAIVDYPQLCKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34/c1-12(2)8-9-15(7)16(10-13(3)4)11-14(5)6/h12-16H,8-11H2,1-7H3.
What are the key properties of 2,5,8-trimethyl-4-(2-methylpropyl)nonane?
2,5,8-trimethyl-4-(2-methylpropyl)nonane has a molecular weight of 226.45 g/mol, XLogP of 5.77, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5,8-trimethyl-4-(2-methylpropyl)nonane is sourced from PubChem (CID 18961431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).