3-ethyl-2-methyl-6-methylideneoct-1-ene

C12H22 — CID 144692638

IUPAC3-ethyl-2-methyl-6-methylideneoct-1-ene
SMILESC=C(CC)CCC(CC)C(=C)C
InChIInChI=1S/C12H22/c1-6-11(5)8-9-12(7-2)10(3)4/h12H,3,5-9H2,1-2,4H3
InChIKeyBDTLFJGTUCUBIR-UHFFFAOYSA-N
MW166.31 g/mol
LogP4.34
Rot. Bonds6

About 3-ethyl-2-methyl-6-methylideneoct-1-ene

3-ethyl-2-methyl-6-methylideneoct-1-ene (PubChem CID 144692638) has the molecular formula C12H22 and a molecular weight of 166.31 g/mol. Its IUPAC name is 3-ethyl-2-methyl-6-methylideneoct-1-ene.

Molecular Properties

Compound Name3-ethyl-2-methyl-6-methylideneoct-1-ene
PubChem CID144692638
Molecular FormulaC12H22
Molecular Weight166.31 g/mol
Exact Mass166.17
IUPAC Name3-ethyl-2-methyl-6-methylideneoct-1-ene
SMILESC=C(CC)CCC(CC)C(=C)C
InChIInChI=1S/C12H22/c1-6-11(5)8-9-12(7-2)10(3)4/h12H,3,5-9H2,1-2,4H3
InChIKeyBDTLFJGTUCUBIR-UHFFFAOYSA-N
XLogP4.34
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.31
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2-methyl-6-methylideneoct-1-ene?
The IUPAC name of 3-ethyl-2-methyl-6-methylideneoct-1-ene (CID 144692638) is 3-ethyl-2-methyl-6-methylideneoct-1-ene.
What is the SMILES notation for 3-ethyl-2-methyl-6-methylideneoct-1-ene?
The canonical SMILES for 3-ethyl-2-methyl-6-methylideneoct-1-ene is C=C(CC)CCC(CC)C(=C)C.
What is the InChIKey of 3-ethyl-2-methyl-6-methylideneoct-1-ene?
The InChIKey is BDTLFJGTUCUBIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22/c1-6-11(5)8-9-12(7-2)10(3)4/h12H,3,5-9H2,1-2,4H3.
What are the key properties of 3-ethyl-2-methyl-6-methylideneoct-1-ene?
3-ethyl-2-methyl-6-methylideneoct-1-ene has a molecular weight of 166.31 g/mol, XLogP of 4.34, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2-methyl-6-methylideneoct-1-ene is sourced from PubChem (CID 144692638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).