2,3,4-trimethyldeca-2,4-diene

C13H24 — CID 123317251

IUPAC2,3,4-trimethyldeca-2,4-diene
SMILESCCCCCC=C(C)C(C)=C(C)C
InChIInChI=1S/C13H24/c1-6-7-8-9-10-12(4)13(5)11(2)3/h10H,6-9H2,1-5H3
InChIKeySCTOOARIHUCVFH-UHFFFAOYSA-N
MW180.33 g/mol
LogP4.87
Rot. Bonds5

About 2,3,4-trimethyldeca-2,4-diene

2,3,4-trimethyldeca-2,4-diene (PubChem CID 123317251) has the molecular formula C13H24 and a molecular weight of 180.33 g/mol. Its IUPAC name is 2,3,4-trimethyldeca-2,4-diene.

Molecular Properties

Compound Name2,3,4-trimethyldeca-2,4-diene
PubChem CID123317251
Molecular FormulaC13H24
Molecular Weight180.33 g/mol
Exact Mass180.19
IUPAC Name2,3,4-trimethyldeca-2,4-diene
SMILESCCCCCC=C(C)C(C)=C(C)C
InChIInChI=1S/C13H24/c1-6-7-8-9-10-12(4)13(5)11(2)3/h10H,6-9H2,1-5H3
InChIKeySCTOOARIHUCVFH-UHFFFAOYSA-N
XLogP4.87
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.33
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

(Z)-3-methylnon-3-en-2-one
CID 98567788
(Z)-2-methylnon-2-enoic acid
CID 19098031
(E)-2-methylnonacos-2-enoic acid
CID 87108662
2-methylhentriacont-2-enoic acid
CID 141160211
2-methyloct-2-enedithioic acid
CID 154520856
2-methyldodec-2-enoyl chloride
CID 72833281
(E)-2-methylhexadec-2-enamide
CID 87240184
2-methylnonacos-2-enamide
CID 141002865
2-methylheptadec-2-enoic acid;hydrofluoride
CID 174883773
2-methylpentadec-2-enethioic S-acid
CID 87863769
4,5-dimethyldeca-3,5-diene
CID 76540100
2-methylhenicos-2-ene;dihydrobromide
CID 175068359

Frequently Asked Questions

What is the IUPAC name of 2,3,4-trimethyldeca-2,4-diene?
The IUPAC name of 2,3,4-trimethyldeca-2,4-diene (CID 123317251) is 2,3,4-trimethyldeca-2,4-diene.
What is the SMILES notation for 2,3,4-trimethyldeca-2,4-diene?
The canonical SMILES for 2,3,4-trimethyldeca-2,4-diene is CCCCCC=C(C)C(C)=C(C)C.
What is the InChIKey of 2,3,4-trimethyldeca-2,4-diene?
The InChIKey is SCTOOARIHUCVFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24/c1-6-7-8-9-10-12(4)13(5)11(2)3/h10H,6-9H2,1-5H3.
What are the key properties of 2,3,4-trimethyldeca-2,4-diene?
2,3,4-trimethyldeca-2,4-diene has a molecular weight of 180.33 g/mol, XLogP of 4.87, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4-trimethyldeca-2,4-diene is sourced from PubChem (CID 123317251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).