2,3,4-trimethylpentane

C8H18 — CID 11269

IUPAC2,3,4-trimethylpentane
SMILESCC(C)C(C)C(C)C
InChIInChI=1S/C8H18/c1-6(2)8(5)7(3)4/h6-8H,1-5H3
InChIKeyRLPGDEORIPLBNF-UHFFFAOYSA-N
MW114.23 g/mol
LogP2.93
Rot. Bonds2

About 2,3,4-trimethylpentane

2,3,4-trimethylpentane (PubChem CID 11269) has the molecular formula C8H18 and a molecular weight of 114.23 g/mol. Its IUPAC name is 2,3,4-trimethylpentane.

Molecular Properties

Compound Name2,3,4-trimethylpentane
PubChem CID11269
Molecular FormulaC8H18
Molecular Weight114.23 g/mol
Exact Mass114.14
IUPAC Name2,3,4-trimethylpentane
SMILESCC(C)C(C)C(C)C
InChIInChI=1S/C8H18/c1-6(2)8(5)7(3)4/h6-8H,1-5H3
InChIKeyRLPGDEORIPLBNF-UHFFFAOYSA-N
XLogP2.93
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.23
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2,4-Dimethylhexane
CID 11511
4-Methylheptane
CID 11512
3-Methylheptane
CID 11519
3,4-Dimethylheptane
CID 13534
2,3,3-Trimethylpentane
CID 11215
2,3-Dimethylpentane
CID 11260
3,4-Dimethylhexane
CID 11412
2,3-Dimethylhexane
CID 11447
3-Ethyl-2-methylpentane
CID 11863
2,3,4-Trimethylhexane
CID 13533
3-Ethylheptane
CID 51806
3,5-Dimethylheptane
CID 13558

Frequently Asked Questions

What is the IUPAC name of 2,3,4-trimethylpentane?
The IUPAC name of 2,3,4-trimethylpentane (CID 11269) is 2,3,4-trimethylpentane.
What is the SMILES notation for 2,3,4-trimethylpentane?
The canonical SMILES for 2,3,4-trimethylpentane is CC(C)C(C)C(C)C.
What is the InChIKey of 2,3,4-trimethylpentane?
The InChIKey is RLPGDEORIPLBNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18/c1-6(2)8(5)7(3)4/h6-8H,1-5H3.
What are the key properties of 2,3,4-trimethylpentane?
2,3,4-trimethylpentane has a molecular weight of 114.23 g/mol, XLogP of 2.93, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4-trimethylpentane is sourced from PubChem (CID 11269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).