3,4-diethyl-4,5-dimethylheptane

C13H28 — CID 57491367

IUPAC3,4-diethyl-4,5-dimethylheptane
SMILESCCC(C)C(C)(CC)C(CC)CC
InChIInChI=1S/C13H28/c1-7-11(5)13(6,10-4)12(8-2)9-3/h11-12H,7-10H2,1-6H3
InChIKeySCDLHVUQYGHYTC-UHFFFAOYSA-N
MW184.37 g/mol
LogP4.89
Rot. Bonds6

About 3,4-diethyl-4,5-dimethylheptane

3,4-diethyl-4,5-dimethylheptane (PubChem CID 57491367) has the molecular formula C13H28 and a molecular weight of 184.37 g/mol. Its IUPAC name is 3,4-diethyl-4,5-dimethylheptane.

Molecular Properties

Compound Name3,4-diethyl-4,5-dimethylheptane
PubChem CID57491367
Molecular FormulaC13H28
Molecular Weight184.37 g/mol
Exact Mass184.22
IUPAC Name3,4-diethyl-4,5-dimethylheptane
SMILESCCC(C)C(C)(CC)C(CC)CC
InChIInChI=1S/C13H28/c1-7-11(5)13(6,10-4)12(8-2)9-3/h11-12H,7-10H2,1-6H3
InChIKeySCDLHVUQYGHYTC-UHFFFAOYSA-N
XLogP4.89
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.37
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

3,3-Dimethylhexane
CID 11233
2,3-Dimethylhexane
CID 11447
4-Methylheptane
CID 11512
3-Methylheptane
CID 11519
3,4-Dimethylheptane
CID 13534
2,3,3-Trimethylpentane
CID 11215
3,4-Dimethylhexane
CID 11412
2,3,4-Trimethylhexane
CID 13533
3-Ethylheptane
CID 51806
2,2,4-Trimethylheptane
CID 26839
3,5-Dimethylheptane
CID 13558
3,3,5-Trimethylheptane
CID 23544

Frequently Asked Questions

What is the IUPAC name of 3,4-diethyl-4,5-dimethylheptane?
The IUPAC name of 3,4-diethyl-4,5-dimethylheptane (CID 57491367) is 3,4-diethyl-4,5-dimethylheptane.
What is the SMILES notation for 3,4-diethyl-4,5-dimethylheptane?
The canonical SMILES for 3,4-diethyl-4,5-dimethylheptane is CCC(C)C(C)(CC)C(CC)CC.
What is the InChIKey of 3,4-diethyl-4,5-dimethylheptane?
The InChIKey is SCDLHVUQYGHYTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28/c1-7-11(5)13(6,10-4)12(8-2)9-3/h11-12H,7-10H2,1-6H3.
What are the key properties of 3,4-diethyl-4,5-dimethylheptane?
3,4-diethyl-4,5-dimethylheptane has a molecular weight of 184.37 g/mol, XLogP of 4.89, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-diethyl-4,5-dimethylheptane is sourced from PubChem (CID 57491367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).