2,8-dimethyl-5-(3-methylbutyl)nonane

C16H34 — CID 57230829

IUPAC2,8-dimethyl-5-(3-methylbutyl)nonane
SMILESCC(C)CCC(CCC(C)C)CCC(C)C
InChIInChI=1S/C16H34/c1-13(2)7-10-16(11-8-14(3)4)12-9-15(5)6/h13-16H,7-12H2,1-6H3
InChIKeySEXLUKYVLMTDIK-UHFFFAOYSA-N
MW226.45 g/mol
LogP5.91
Rot. Bonds9

About 2,8-dimethyl-5-(3-methylbutyl)nonane

2,8-dimethyl-5-(3-methylbutyl)nonane (PubChem CID 57230829) has the molecular formula C16H34 and a molecular weight of 226.45 g/mol. Its IUPAC name is 2,8-dimethyl-5-(3-methylbutyl)nonane.

Molecular Properties

Compound Name2,8-dimethyl-5-(3-methylbutyl)nonane
PubChem CID57230829
Molecular FormulaC16H34
Molecular Weight226.45 g/mol
Exact Mass226.27
IUPAC Name2,8-dimethyl-5-(3-methylbutyl)nonane
SMILESCC(C)CCC(CCC(C)C)CCC(C)C
InChIInChI=1S/C16H34/c1-13(2)7-10-16(11-8-14(3)4)12-9-15(5)6/h13-16H,7-12H2,1-6H3
InChIKeySEXLUKYVLMTDIK-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

2,8-dimethyl-5-propylnonane
CID 57014492
1,1,1-trifluoro-7-methyl-4-(3,3,3-trifluoropropyl)octane
CID 162503458
9-methyl-6-(3-methylbutyl)-2-[7-methyl-4-(3-methylbutyl)octyl]decan-1-amine
CID 139249170
9-methyl-6-(3-methylbutyl)-2-[7-methyl-4-(3-methylbutyl)octyl]decan-1-ol
CID 101391197
(5R)-2-methyl-5-propylnonane
CID 162842430
7-methyloctan-4-ylphosphanium
CID 22349017
5-methyl-1-methylsulfanyl-2-(methylsulfanylmethyl)hexane
CID 172730722
ethane;2-methyl-5-propylnonane
CID 171073854
4-ethyl-2,7-dimethyloctane
CID 53423923
2,9-dimethyl-5,6-bis(3-methylbutyl)decane
CID 139994880
2-methyl-5-propyltridecane
CID 123255718
(Z)-but-2-ene;2,5-dimethylhexane
CID 144935211

Frequently Asked Questions

What is the IUPAC name of 2,8-dimethyl-5-(3-methylbutyl)nonane?
The IUPAC name of 2,8-dimethyl-5-(3-methylbutyl)nonane (CID 57230829) is 2,8-dimethyl-5-(3-methylbutyl)nonane.
What is the SMILES notation for 2,8-dimethyl-5-(3-methylbutyl)nonane?
The canonical SMILES for 2,8-dimethyl-5-(3-methylbutyl)nonane is CC(C)CCC(CCC(C)C)CCC(C)C.
What is the InChIKey of 2,8-dimethyl-5-(3-methylbutyl)nonane?
The InChIKey is SEXLUKYVLMTDIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34/c1-13(2)7-10-16(11-8-14(3)4)12-9-15(5)6/h13-16H,7-12H2,1-6H3.
What are the key properties of 2,8-dimethyl-5-(3-methylbutyl)nonane?
2,8-dimethyl-5-(3-methylbutyl)nonane 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 2,8-dimethyl-5-(3-methylbutyl)nonane is sourced from PubChem (CID 57230829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).