4-ethylheptane;3-methylheptane

C17H38 — CID 143099611

IUPAC4-ethylheptane;3-methylheptane
SMILESCCCC(CC)CCC.CCCCC(C)CC
InChIInChI=1S/C9H20.C8H18/c1-4-7-9(6-3)8-5-2;1-4-6-7-8(3)5-2/h9H,4-8H2,1-3H3;8H,4-7H2,1-3H3
InChIKeyMENPOKPUNIKVJX-UHFFFAOYSA-N
MW242.49 g/mol
LogP6.84
Rot. Bonds9

About 4-ethylheptane;3-methylheptane

4-ethylheptane;3-methylheptane (PubChem CID 143099611) has the molecular formula C17H38 and a molecular weight of 242.49 g/mol. Its IUPAC name is 4-ethylheptane;3-methylheptane.

Molecular Properties

Compound Name4-ethylheptane;3-methylheptane
PubChem CID143099611
Molecular FormulaC17H38
Molecular Weight242.49 g/mol
Exact Mass242.30
IUPAC Name4-ethylheptane;3-methylheptane
SMILESCCCC(CC)CCC.CCCCC(C)CC
InChIInChI=1S/C9H20.C8H18/c1-4-7-9(6-3)8-5-2;1-4-6-7-8(3)5-2/h9H,4-8H2,1-3H3;8H,4-7H2,1-3H3
InChIKeyMENPOKPUNIKVJX-UHFFFAOYSA-N
XLogP6.84
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500242.49
LogP ≤ 56.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

7-ethyl-3-methylundecane
CID 57085432
9-ethyl-3-methyltridecane
CID 54105230
3-methyl-7-propylundecane
CID 123449834
11-ethyl-3-methyltetradecane
CID 123200411
calcium;hydride;3-methylheptane
CID 174879723
7-ethylpentadecane;5-ethylundecane;3-methylundecane;nonane;tridecane;undecane
CID 161368370
3-methylheptane;nickel
CID 158967838
13-ethyl-3,8-dimethyloctadecane
CID 123214629
6-ethyl-3-methylnonane;methane
CID 142358245
3-methylheptane;2-methylpentane
CID 165405793
(3R,6S)-3,6-dimethyldecane
CID 170848353
3-methylheptane;octane
CID 144782281

Frequently Asked Questions

What is the IUPAC name of 4-ethylheptane;3-methylheptane?
The IUPAC name of 4-ethylheptane;3-methylheptane (CID 143099611) is 4-ethylheptane;3-methylheptane.
What is the SMILES notation for 4-ethylheptane;3-methylheptane?
The canonical SMILES for 4-ethylheptane;3-methylheptane is CCCC(CC)CCC.CCCCC(C)CC.
What is the InChIKey of 4-ethylheptane;3-methylheptane?
The InChIKey is MENPOKPUNIKVJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20.C8H18/c1-4-7-9(6-3)8-5-2;1-4-6-7-8(3)5-2/h9H,4-8H2,1-3H3;8H,4-7H2,1-3H3.
What are the key properties of 4-ethylheptane;3-methylheptane?
4-ethylheptane;3-methylheptane has a molecular weight of 242.49 g/mol, XLogP of 6.84, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethylheptane;3-methylheptane is sourced from PubChem (CID 143099611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).