4-ethyl-5-methylnonane

C12H26 — CID 519249

IUPAC4-ethyl-5-methylnonane
SMILESCCCCC(C)C(CC)CCC
InChIInChI=1S/C12H26/c1-5-8-10-11(4)12(7-3)9-6-2/h11-12H,5-10H2,1-4H3
InChIKeyHKUUNAOHRKAJIY-UHFFFAOYSA-N
MW170.34 g/mol
LogP4.64
Rot. Bonds7

About 4-ethyl-5-methylnonane

4-ethyl-5-methylnonane (PubChem CID 519249) has the molecular formula C12H26 and a molecular weight of 170.34 g/mol. Its IUPAC name is 4-ethyl-5-methylnonane.

Molecular Properties

Compound Name4-ethyl-5-methylnonane
PubChem CID519249
Molecular FormulaC12H26
Molecular Weight170.34 g/mol
Exact Mass170.20
IUPAC Name4-ethyl-5-methylnonane
SMILESCCCCC(C)C(CC)CCC
InChIInChI=1S/C12H26/c1-5-8-10-11(4)12(7-3)9-6-2/h11-12H,5-10H2,1-4H3
InChIKeyHKUUNAOHRKAJIY-UHFFFAOYSA-N
XLogP4.64
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.34
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-5-methylnonane?
The IUPAC name of 4-ethyl-5-methylnonane (CID 519249) is 4-ethyl-5-methylnonane.
What is the SMILES notation for 4-ethyl-5-methylnonane?
The canonical SMILES for 4-ethyl-5-methylnonane is CCCCC(C)C(CC)CCC.
What is the InChIKey of 4-ethyl-5-methylnonane?
The InChIKey is HKUUNAOHRKAJIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26/c1-5-8-10-11(4)12(7-3)9-6-2/h11-12H,5-10H2,1-4H3.
What are the key properties of 4-ethyl-5-methylnonane?
4-ethyl-5-methylnonane has a molecular weight of 170.34 g/mol, XLogP of 4.64, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-5-methylnonane is sourced from PubChem (CID 519249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).