3,4-dimethyl-5-propan-2-yl-5-propylnonane

C17H36 — CID 173277226

IUPAC3,4-dimethyl-5-propan-2-yl-5-propylnonane
SMILESCCCCC(CCC)(C(C)C)C(C)C(C)CC
InChIInChI=1S/C17H36/c1-8-11-13-17(12-9-2,14(4)5)16(7)15(6)10-3/h14-16H,8-13H2,1-7H3
InChIKeyXXFDERJMRQCOKO-UHFFFAOYSA-N
MW240.47 g/mol
LogP6.30
Rot. Bonds9

About 3,4-dimethyl-5-propan-2-yl-5-propylnonane

3,4-dimethyl-5-propan-2-yl-5-propylnonane (PubChem CID 173277226) has the molecular formula C17H36 and a molecular weight of 240.47 g/mol. Its IUPAC name is 3,4-dimethyl-5-propan-2-yl-5-propylnonane.

Molecular Properties

Compound Name3,4-dimethyl-5-propan-2-yl-5-propylnonane
PubChem CID173277226
Molecular FormulaC17H36
Molecular Weight240.47 g/mol
Exact Mass240.28
IUPAC Name3,4-dimethyl-5-propan-2-yl-5-propylnonane
SMILESCCCCC(CCC)(C(C)C)C(C)C(C)CC
InChIInChI=1S/C17H36/c1-8-11-13-17(12-9-2,14(4)5)16(7)15(6)10-3/h14-16H,8-13H2,1-7H3
InChIKeyXXFDERJMRQCOKO-UHFFFAOYSA-N
XLogP6.30
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500240.47
LogP ≤ 56.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 3,4-dimethyl-5-propan-2-yl-5-propylnonane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

10,10-di(propan-2-yl)octacosane
CID 152510996
4-butan-2-yl-3-methyl-4-propylnonane
CID 123540962
2-[3-(methoxymethyl)-2-methylhexan-3-yl]heptanal
CID 174720723
6,6-diethyl-5-fluoro-3,4-dimethyldecane
CID 126608201
2-methylhexan-2-yl 2-hydroxypropanoate
CID 140737636
3,3-diethylheptane;3,3-diethylhexane;3,3-diethylpentane;3-ethylpentane;methane
CID 158847825
5-butylnonan-5-yl methyl carbonate
CID 141441033
6,6-bis(2-ethylbutyl)undecane
CID 174469307
N,N-dimethylmethanamine;hexane;2-methylbutane;2,2,3-trimethylbutane
CID 144528307
3,3-dihexylpentane-2,4-diol
CID 21414890
CID 87683180
CID 87683180
10,10-dibutylicosane
CID 151498539

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-5-propan-2-yl-5-propylnonane?
The IUPAC name of 3,4-dimethyl-5-propan-2-yl-5-propylnonane (CID 173277226) is 3,4-dimethyl-5-propan-2-yl-5-propylnonane.
What is the SMILES notation for 3,4-dimethyl-5-propan-2-yl-5-propylnonane?
The canonical SMILES for 3,4-dimethyl-5-propan-2-yl-5-propylnonane is CCCCC(CCC)(C(C)C)C(C)C(C)CC.
What is the InChIKey of 3,4-dimethyl-5-propan-2-yl-5-propylnonane?
The InChIKey is XXFDERJMRQCOKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H36/c1-8-11-13-17(12-9-2,14(4)5)16(7)15(6)10-3/h14-16H,8-13H2,1-7H3.
What are the key properties of 3,4-dimethyl-5-propan-2-yl-5-propylnonane?
3,4-dimethyl-5-propan-2-yl-5-propylnonane has a molecular weight of 240.47 g/mol, XLogP of 6.30, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-5-propan-2-yl-5-propylnonane is sourced from PubChem (CID 173277226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).