2,4-dimethylpentane;ethane;heptane

C16H38 — CID 153392396

IUPAC2,4-dimethylpentane;ethane;heptane
SMILESCC.CC(C)CC(C)C.CCCCCCC
InChIInChI=1S/2C7H16.C2H6/c1-6(2)5-7(3)4;1-3-5-7-6-4-2;1-2/h6-7H,5H2,1-4H3;3-7H2,1-2H3;1-2H3
InChIKeyKQJZPNANHMSUCR-UHFFFAOYSA-N
MW230.48 g/mol
LogP6.69
Rot. Bonds6

About 2,4-dimethylpentane;ethane;heptane

2,4-dimethylpentane;ethane;heptane (PubChem CID 153392396) has the molecular formula C16H38 and a molecular weight of 230.48 g/mol. Its IUPAC name is 2,4-dimethylpentane;ethane;heptane.

Molecular Properties

Compound Name2,4-dimethylpentane;ethane;heptane
PubChem CID153392396
Molecular FormulaC16H38
Molecular Weight230.48 g/mol
Exact Mass230.30
IUPAC Name2,4-dimethylpentane;ethane;heptane
SMILESCC.CC(C)CC(C)C.CCCCCCC
InChIInChI=1S/2C7H16.C2H6/c1-6(2)5-7(3)4;1-3-5-7-6-4-2;1-2/h6-7H,5H2,1-4H3;3-7H2,1-2H3;1-2H3
InChIKeyKQJZPNANHMSUCR-UHFFFAOYSA-N
XLogP6.69
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500230.48
LogP ≤ 56.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2,4-dimethylpentane;pentane
CID 161023213
ethane;heptane;2-methylpropane
CID 167499531
ethane;hexane;2-methylpropane
CID 143834457
ethane;octadecane
CID 143981738
2,4-dimethyltetradecane
CID 53423723
(4S)-2,4-dimethylicosane
CID 134952934
4-(bromomethyl)-2-methylundecane
CID 66049402
ethane;2-methyloctane;pentane
CID 144527652
2,4-dimethylhexane;hexane
CID 174686373
(4R)-2-methyldecan-4-amine
CID 14572815
7-(2-methylpropyl)-6-pentyltridecane
CID 54089544
2,2-dimethylhexane;2,4-dimethylpentane;ethane
CID 145269635

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethylpentane;ethane;heptane?
The IUPAC name of 2,4-dimethylpentane;ethane;heptane (CID 153392396) is 2,4-dimethylpentane;ethane;heptane.
What is the SMILES notation for 2,4-dimethylpentane;ethane;heptane?
The canonical SMILES for 2,4-dimethylpentane;ethane;heptane is CC.CC(C)CC(C)C.CCCCCCC.
What is the InChIKey of 2,4-dimethylpentane;ethane;heptane?
The InChIKey is KQJZPNANHMSUCR-UHFFFAOYSA-N. The full InChI is InChI=1S/2C7H16.C2H6/c1-6(2)5-7(3)4;1-3-5-7-6-4-2;1-2/h6-7H,5H2,1-4H3;3-7H2,1-2H3;1-2H3.
What are the key properties of 2,4-dimethylpentane;ethane;heptane?
2,4-dimethylpentane;ethane;heptane has a molecular weight of 230.48 g/mol, XLogP of 6.69, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethylpentane;ethane;heptane is sourced from PubChem (CID 153392396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).