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

C60H126 — CID 158412329

IUPAC2,8-dimethyl-5-(3-methylbutyl)-5-(2-methylpropyl)nonane
SMILESCC(C)CCC(CCC(C)C)(CCC(C)C)CC(C)C.CC(C)CCC(CCC(C)C)(CCC(C)C)CC(C)C.CC(C)CCC(CCC(C)C)(CCC(C)C)CC(C)C
InChIInChI=1S/3C20H42/c3*1-16(2)9-12-20(15-19(7)8,13-10-17(3)4)14-11-18(5)6/h3*16-19H,9-15H2,1-8H3
InChIKeyGZLTUXIRWPRAML-UHFFFAOYSA-N
MW847.67 g/mol
LogP21.98
Rot. Bonds33

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

2,8-dimethyl-5-(3-methylbutyl)-5-(2-methylpropyl)nonane (PubChem CID 158412329) has the molecular formula C60H126 and a molecular weight of 847.67 g/mol. Its IUPAC name is 2,8-dimethyl-5-(3-methylbutyl)-5-(2-methylpropyl)nonane.

Molecular Properties

Compound Name2,8-dimethyl-5-(3-methylbutyl)-5-(2-methylpropyl)nonane
PubChem CID158412329
Molecular FormulaC60H126
Molecular Weight847.67 g/mol
Exact Mass846.99
IUPAC Name2,8-dimethyl-5-(3-methylbutyl)-5-(2-methylpropyl)nonane
SMILESCC(C)CCC(CCC(C)C)(CCC(C)C)CC(C)C.CC(C)CCC(CCC(C)C)(CCC(C)C)CC(C)C.CC(C)CCC(CCC(C)C)(CCC(C)C)CC(C)C
InChIInChI=1S/3C20H42/c3*1-16(2)9-12-20(15-19(7)8,13-10-17(3)4)14-11-18(5)6/h3*16-19H,9-15H2,1-8H3
InChIKeyGZLTUXIRWPRAML-UHFFFAOYSA-N
XLogP21.98
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds33
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500847.67
LogP ≤ 521.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

tris(2,8-dimethyl-5-(3-methylbutyl)-5-(2-methylpropyl)nonane);methane
CID 167580098
4,4-diethyl-2,7-dimethyloctane
CID 57492571
bis(2,6-dimethyl-4,4-bis(2-methylpropyl)heptane);methane
CID 159457084
5-(3,3-dimethylbutyl)-2,2,8,8-tetramethyl-5-(3-methylbutyl)nonane
CID 167654054
2,4,5,5,8-pentamethyl-4-(2-methylpropyl)nonane
CID 123624473
2-(2-methylpropyl)-2-(2-propoxyethyl)propane-1,3-diol
CID 106459753
4,4-bis(bromomethyl)-2,6-dimethylheptane
CID 79453294
ethane;1,1,1-trifluoro-4-methylpentane
CID 142517870
1-iodo-6-methyl-4,4-bis(2-methylpropyl)heptane
CID 141246232
3,3,6-trimethylhept-1-yne
CID 54515763
2-(3-methylbutyl)-2-pentylpropane-1,3-diol
CID 165147923
4-(2,2-dimethylpropyl)-2,2,6,6-tetramethyl-4-(2-methylpropyl)heptane
CID 167346782

Frequently Asked Questions

What is the IUPAC name of 2,8-dimethyl-5-(3-methylbutyl)-5-(2-methylpropyl)nonane?
The IUPAC name of 2,8-dimethyl-5-(3-methylbutyl)-5-(2-methylpropyl)nonane (CID 158412329) is 2,8-dimethyl-5-(3-methylbutyl)-5-(2-methylpropyl)nonane.
What is the SMILES notation for 2,8-dimethyl-5-(3-methylbutyl)-5-(2-methylpropyl)nonane?
The canonical SMILES for 2,8-dimethyl-5-(3-methylbutyl)-5-(2-methylpropyl)nonane is CC(C)CCC(CCC(C)C)(CCC(C)C)CC(C)C.CC(C)CCC(CCC(C)C)(CCC(C)C)CC(C)C.CC(C)CCC(CCC(C)C)(CCC(C)C)CC(C)C.
What is the InChIKey of 2,8-dimethyl-5-(3-methylbutyl)-5-(2-methylpropyl)nonane?
The InChIKey is GZLTUXIRWPRAML-UHFFFAOYSA-N. The full InChI is InChI=1S/3C20H42/c3*1-16(2)9-12-20(15-19(7)8,13-10-17(3)4)14-11-18(5)6/h3*16-19H,9-15H2,1-8H3.
What are the key properties of 2,8-dimethyl-5-(3-methylbutyl)-5-(2-methylpropyl)nonane?
2,8-dimethyl-5-(3-methylbutyl)-5-(2-methylpropyl)nonane has a molecular weight of 847.67 g/mol, XLogP of 21.98, 33 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)-5-(2-methylpropyl)nonane is sourced from PubChem (CID 158412329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).