(E)-2,3-dimethyloct-4-ene

C10H20 — CID 173368392

IUPAC(E)-2,3-dimethyloct-4-ene
SMILESCCC/C=C/C(C)C(C)C
InChIInChI=1S/C10H20/c1-5-6-7-8-10(4)9(2)3/h7-10H,5-6H2,1-4H3/b8-7+
InChIKeyOHBQTTSEWGTSMQ-BQYQJAHWSA-N
MW140.27 g/mol
LogP3.63
Rot. Bonds4

About (E)-2,3-dimethyloct-4-ene

(E)-2,3-dimethyloct-4-ene (PubChem CID 173368392) has the molecular formula C10H20 and a molecular weight of 140.27 g/mol. Its IUPAC name is (E)-2,3-dimethyloct-4-ene.

Molecular Properties

Compound Name(E)-2,3-dimethyloct-4-ene
PubChem CID173368392
Molecular FormulaC10H20
Molecular Weight140.27 g/mol
Exact Mass140.16
IUPAC Name(E)-2,3-dimethyloct-4-ene
SMILESCCC/C=C/C(C)C(C)C
InChIInChI=1S/C10H20/c1-5-6-7-8-10(4)9(2)3/h7-10H,5-6H2,1-4H3/b8-7+
InChIKeyOHBQTTSEWGTSMQ-BQYQJAHWSA-N
XLogP3.63
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.27
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze (E)-2,3-dimethyloct-4-ene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3,4-dimethylnona-1,5-diene
CID 57098033
6,7,9-trimethyldec-4-ene
CID 123201610
(6R)-6-methylnon-4-ene
CID 175484589
(E,2S)-2-methylhept-3-enal
CID 124565519
3-methylocta-1,4-diene
CID 123442447
(2Z,5Z)-4-methylnona-2,5-diene
CID 144517565
dimethyl 2-[(E)-hept-3-en-2-yl]propanedioate
CID 134981164
(E,6R)-2,3,6,7-tetramethyloct-4-ene
CID 58933362
(3S,4S)-3-methylnon-5-en-4-amine
CID 57021355
4-methylnon-5-en-2-ol
CID 90726696
(E)-3-bromooct-4-ene
CID 88754866
(Z)-3-fluorooct-4-ene
CID 143337170

Frequently Asked Questions

What is the IUPAC name of (E)-2,3-dimethyloct-4-ene?
The IUPAC name of (E)-2,3-dimethyloct-4-ene (CID 173368392) is (E)-2,3-dimethyloct-4-ene.
What is the SMILES notation for (E)-2,3-dimethyloct-4-ene?
The canonical SMILES for (E)-2,3-dimethyloct-4-ene is CCC/C=C/C(C)C(C)C.
What is the InChIKey of (E)-2,3-dimethyloct-4-ene?
The InChIKey is OHBQTTSEWGTSMQ-BQYQJAHWSA-N. The full InChI is InChI=1S/C10H20/c1-5-6-7-8-10(4)9(2)3/h7-10H,5-6H2,1-4H3/b8-7+.
What are the key properties of (E)-2,3-dimethyloct-4-ene?
(E)-2,3-dimethyloct-4-ene has a molecular weight of 140.27 g/mol, XLogP of 3.63, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2,3-dimethyloct-4-ene is sourced from PubChem (CID 173368392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).