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

C18H38 — CID 123624473

IUPAC2,4,5,5,8-pentamethyl-4-(2-methylpropyl)nonane
SMILESCC(C)CCC(C)(C)C(C)(CC(C)C)CC(C)C
InChIInChI=1S/C18H38/c1-14(2)10-11-17(7,8)18(9,12-15(3)4)13-16(5)6/h14-16H,10-13H2,1-9H3
InChIKeyVRLHDYJDQGJPMG-UHFFFAOYSA-N
MW254.50 g/mol
LogP6.55
Rot. Bonds8

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

2,4,5,5,8-pentamethyl-4-(2-methylpropyl)nonane (PubChem CID 123624473) has the molecular formula C18H38 and a molecular weight of 254.50 g/mol. Its IUPAC name is 2,4,5,5,8-pentamethyl-4-(2-methylpropyl)nonane.

Molecular Properties

Compound Name2,4,5,5,8-pentamethyl-4-(2-methylpropyl)nonane
PubChem CID123624473
Molecular FormulaC18H38
Molecular Weight254.50 g/mol
Exact Mass254.30
IUPAC Name2,4,5,5,8-pentamethyl-4-(2-methylpropyl)nonane
SMILESCC(C)CCC(C)(C)C(C)(CC(C)C)CC(C)C
InChIInChI=1S/C18H38/c1-14(2)10-11-17(7,8)18(9,12-15(3)4)13-16(5)6/h14-16H,10-13H2,1-9H3
InChIKeyVRLHDYJDQGJPMG-UHFFFAOYSA-N
XLogP6.55
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500254.50
LogP ≤ 56.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2,8-dimethyl-5-(3-methylbutyl)-5-(2-methylpropyl)nonane
CID 158412329
4-tert-butyl-2,4,6-trimethylheptane
CID 57493093
tris(2,8-dimethyl-5-(3-methylbutyl)-5-(2-methylpropyl)nonane);methane
CID 167580098
4,4-diethyl-2,7-dimethyloctane
CID 57492571
2,5,8-trimethylnonan-5-ol
CID 58574498
N-(3,6-dimethylheptan-3-yl)ethanimine
CID 123603789
(2S)-2-hydroxy-2,5-dimethylhexanenitrile
CID 71347470
2,6,6,10-tetramethylundecane-5,5-diol
CID 141261588
2,5-dimethylhexan-2-ol;ethene
CID 144803935
5-(3,3-dimethylbutyl)-2,2,8,8-tetramethyl-5-(3-methylbutyl)nonane
CID 167654054
ethane;1,1,1-trifluoro-4-methylpentane
CID 142517870
2,5,5,6-tetramethyloctane
CID 53424276

Frequently Asked Questions

What is the IUPAC name of 2,4,5,5,8-pentamethyl-4-(2-methylpropyl)nonane?
The IUPAC name of 2,4,5,5,8-pentamethyl-4-(2-methylpropyl)nonane (CID 123624473) is 2,4,5,5,8-pentamethyl-4-(2-methylpropyl)nonane.
What is the SMILES notation for 2,4,5,5,8-pentamethyl-4-(2-methylpropyl)nonane?
The canonical SMILES for 2,4,5,5,8-pentamethyl-4-(2-methylpropyl)nonane is CC(C)CCC(C)(C)C(C)(CC(C)C)CC(C)C.
What is the InChIKey of 2,4,5,5,8-pentamethyl-4-(2-methylpropyl)nonane?
The InChIKey is VRLHDYJDQGJPMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H38/c1-14(2)10-11-17(7,8)18(9,12-15(3)4)13-16(5)6/h14-16H,10-13H2,1-9H3.
What are the key properties of 2,4,5,5,8-pentamethyl-4-(2-methylpropyl)nonane?
2,4,5,5,8-pentamethyl-4-(2-methylpropyl)nonane has a molecular weight of 254.50 g/mol, XLogP of 6.55, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,5,5,8-pentamethyl-4-(2-methylpropyl)nonane is sourced from PubChem (CID 123624473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).