3-ethyl-8-methylnon-2-ene

C12H24 — CID 91177846

IUPAC3-ethyl-8-methylnon-2-ene
SMILESCC=C(CC)CCCCC(C)C
InChIInChI=1S/C12H24/c1-5-12(6-2)10-8-7-9-11(3)4/h5,11H,6-10H2,1-4H3
InChIKeyBBPDSHGMLWNJKL-UHFFFAOYSA-N
MW168.32 g/mol
LogP4.56
Rot. Bonds6

About 3-ethyl-8-methylnon-2-ene

3-ethyl-8-methylnon-2-ene (PubChem CID 91177846) has the molecular formula C12H24 and a molecular weight of 168.32 g/mol. Its IUPAC name is 3-ethyl-8-methylnon-2-ene.

Molecular Properties

Compound Name3-ethyl-8-methylnon-2-ene
PubChem CID91177846
Molecular FormulaC12H24
Molecular Weight168.32 g/mol
Exact Mass168.19
IUPAC Name3-ethyl-8-methylnon-2-ene
SMILESCC=C(CC)CCCCC(C)C
InChIInChI=1S/C12H24/c1-5-12(6-2)10-8-7-9-11(3)4/h5,11H,6-10H2,1-4H3
InChIKeyBBPDSHGMLWNJKL-UHFFFAOYSA-N
XLogP4.56
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.32
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

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4-ethylidene-2-methyloctadecane
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CID 58100191
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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-8-methylnon-2-ene?
The IUPAC name of 3-ethyl-8-methylnon-2-ene (CID 91177846) is 3-ethyl-8-methylnon-2-ene.
What is the SMILES notation for 3-ethyl-8-methylnon-2-ene?
The canonical SMILES for 3-ethyl-8-methylnon-2-ene is CC=C(CC)CCCCC(C)C.
What is the InChIKey of 3-ethyl-8-methylnon-2-ene?
The InChIKey is BBPDSHGMLWNJKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24/c1-5-12(6-2)10-8-7-9-11(3)4/h5,11H,6-10H2,1-4H3.
What are the key properties of 3-ethyl-8-methylnon-2-ene?
3-ethyl-8-methylnon-2-ene has a molecular weight of 168.32 g/mol, XLogP of 4.56, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-8-methylnon-2-ene is sourced from PubChem (CID 91177846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).