3-ethyl-2,4-dimethylpentane;2,3,4-trimethylpentane

C17H38 — CID 158873092

IUPAC3-ethyl-2,4-dimethylpentane;2,3,4-trimethylpentane
SMILESCC(C)C(C)C(C)C.CCC(C(C)C)C(C)C
InChIInChI=1S/C9H20.C8H18/c1-6-9(7(2)3)8(4)5;1-6(2)8(5)7(3)4/h7-9H,6H2,1-5H3;6-8H,1-5H3
InChIKeyJCBYODVJFHAQPK-UHFFFAOYSA-N
MW242.49 g/mol
LogP6.26
Rot. Bonds5

About 3-ethyl-2,4-dimethylpentane;2,3,4-trimethylpentane

3-ethyl-2,4-dimethylpentane;2,3,4-trimethylpentane (PubChem CID 158873092) has the molecular formula C17H38 and a molecular weight of 242.49 g/mol. Its IUPAC name is 3-ethyl-2,4-dimethylpentane;2,3,4-trimethylpentane.

Molecular Properties

Compound Name3-ethyl-2,4-dimethylpentane;2,3,4-trimethylpentane
PubChem CID158873092
Molecular FormulaC17H38
Molecular Weight242.49 g/mol
Exact Mass242.30
IUPAC Name3-ethyl-2,4-dimethylpentane;2,3,4-trimethylpentane
SMILESCC(C)C(C)C(C)C.CCC(C(C)C)C(C)C
InChIInChI=1S/C9H20.C8H18/c1-6-9(7(2)3)8(4)5;1-6(2)8(5)7(3)4/h7-9H,6H2,1-5H3;6-8H,1-5H3
InChIKeyJCBYODVJFHAQPK-UHFFFAOYSA-N
XLogP6.26
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500242.49
LogP ≤ 56.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

3,6-diethyl-2,7-dimethyl-4,5-di(propan-2-yl)octane
CID 140704954
(4S)-3-ethyl-2,4-dimethylhexane
CID 59911226
3-ethyl-2,4-dimethylpentane;methane;2-methylpentane
CID 158735959
4-ethyl-2,5-dimethylhexan-3-ol
CID 79298861
(4S)-2,3,4-trimethylhexane
CID 58359072
5-ethyl-2,3,4,6-tetramethylnonane
CID 90811278
4-ethyl-2,3,5,7-tetramethylnonane
CID 123258187
3-ethyl-2,5-dimethyl-4-propan-2-ylheptane
CID 57493037
5-ethyl-2,3,4-trimethylheptane
CID 53428868
5-ethyl-2,3,4,6,7-pentamethyloct-2-ene
CID 123790324
3-ethyl-1,1,1-trifluoro-2,4-dimethylpentane
CID 166136871
(2S,3S)-3-ethyl-4-methylpentane-1,2-diol
CID 15101929

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2,4-dimethylpentane;2,3,4-trimethylpentane?
The IUPAC name of 3-ethyl-2,4-dimethylpentane;2,3,4-trimethylpentane (CID 158873092) is 3-ethyl-2,4-dimethylpentane;2,3,4-trimethylpentane.
What is the SMILES notation for 3-ethyl-2,4-dimethylpentane;2,3,4-trimethylpentane?
The canonical SMILES for 3-ethyl-2,4-dimethylpentane;2,3,4-trimethylpentane is CC(C)C(C)C(C)C.CCC(C(C)C)C(C)C.
What is the InChIKey of 3-ethyl-2,4-dimethylpentane;2,3,4-trimethylpentane?
The InChIKey is JCBYODVJFHAQPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20.C8H18/c1-6-9(7(2)3)8(4)5;1-6(2)8(5)7(3)4/h7-9H,6H2,1-5H3;6-8H,1-5H3.
What are the key properties of 3-ethyl-2,4-dimethylpentane;2,3,4-trimethylpentane?
3-ethyl-2,4-dimethylpentane;2,3,4-trimethylpentane has a molecular weight of 242.49 g/mol, XLogP of 6.26, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2,4-dimethylpentane;2,3,4-trimethylpentane is sourced from PubChem (CID 158873092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).