2,3,4-trimethyloct-3-ene

C11H22 — CID 123315350

IUPAC2,3,4-trimethyloct-3-ene
SMILESCCCCC(C)=C(C)C(C)C
InChIInChI=1S/C11H22/c1-6-7-8-10(4)11(5)9(2)3/h9H,6-8H2,1-5H3
InChIKeyQERSKWLBMROIBN-UHFFFAOYSA-N
MW154.30 g/mol
LogP4.17
Rot. Bonds4

About 2,3,4-trimethyloct-3-ene

2,3,4-trimethyloct-3-ene (PubChem CID 123315350) has the molecular formula C11H22 and a molecular weight of 154.30 g/mol. Its IUPAC name is 2,3,4-trimethyloct-3-ene.

Molecular Properties

Compound Name2,3,4-trimethyloct-3-ene
PubChem CID123315350
Molecular FormulaC11H22
Molecular Weight154.30 g/mol
Exact Mass154.17
IUPAC Name2,3,4-trimethyloct-3-ene
SMILESCCCCC(C)=C(C)C(C)C
InChIInChI=1S/C11H22/c1-6-7-8-10(4)11(5)9(2)3/h9H,6-8H2,1-5H3
InChIKeyQERSKWLBMROIBN-UHFFFAOYSA-N
XLogP4.17
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.30
LogP ≤ 54.17
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

2,3-dimethylhept-2-ene;ethane;2-methylbutane
CID 163368789
3-methylhept-2-en-2-ol
CID 73309482
5,6,9,10-tetramethyldodec-5-ene
CID 123162006
3-methylhept-2-en-2-amine
CID 87258436
2,3-dimethylhept-2-ene;(Z)-2,3-dimethylhept-3-ene
CID 169426930
8,9-dimethylhexadec-8-ene
CID 140717938
trimethyl-[(E)-4-methyl-3-propan-2-yloct-3-en-1-ynyl]silane
CID 134977780
carbonic acid;2,3-dimethylhept-2-ene
CID 159232241
2-methylheptan-3-one;hydrate
CID 176897102
3,4-dimethylocta-1,3-diene
CID 54003351
2-methyl-3,4-dimethylideneoctane
CID 134835282
2,3-dimethyltridec-2-ene
CID 22376033

Frequently Asked Questions

What is the IUPAC name of 2,3,4-trimethyloct-3-ene?
The IUPAC name of 2,3,4-trimethyloct-3-ene (CID 123315350) is 2,3,4-trimethyloct-3-ene.
What is the SMILES notation for 2,3,4-trimethyloct-3-ene?
The canonical SMILES for 2,3,4-trimethyloct-3-ene is CCCCC(C)=C(C)C(C)C.
What is the InChIKey of 2,3,4-trimethyloct-3-ene?
The InChIKey is QERSKWLBMROIBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22/c1-6-7-8-10(4)11(5)9(2)3/h9H,6-8H2,1-5H3.
What are the key properties of 2,3,4-trimethyloct-3-ene?
2,3,4-trimethyloct-3-ene has a molecular weight of 154.30 g/mol, XLogP of 4.17, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4-trimethyloct-3-ene is sourced from PubChem (CID 123315350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).