2,3-dimethyldec-5-ene;3,4-dimethyldec-5-ene

C24H48 — CID 173464801

IUPAC2,3-dimethyldec-5-ene;3,4-dimethyldec-5-ene
SMILESCCCCC=CC(C)C(C)CC.CCCCC=CCC(C)C(C)C
InChIInChI=1S/2C12H24/c1-5-6-7-8-9-10-12(4)11(2)3;1-5-7-8-9-10-12(4)11(3)6-2/h8-9,11-12H,5-7,10H2,1-4H3;9-12H,5-8H2,1-4H3
InChIKeyXTFXIYKMCFBWHU-UHFFFAOYSA-N
MW336.65 g/mol
LogP8.83
Rot. Bonds12

About 2,3-dimethyldec-5-ene;3,4-dimethyldec-5-ene

2,3-dimethyldec-5-ene;3,4-dimethyldec-5-ene (PubChem CID 173464801) has the molecular formula C24H48 and a molecular weight of 336.65 g/mol. Its IUPAC name is 2,3-dimethyldec-5-ene;3,4-dimethyldec-5-ene.

Molecular Properties

Compound Name2,3-dimethyldec-5-ene;3,4-dimethyldec-5-ene
PubChem CID173464801
Molecular FormulaC24H48
Molecular Weight336.65 g/mol
Exact Mass336.38
IUPAC Name2,3-dimethyldec-5-ene;3,4-dimethyldec-5-ene
SMILESCCCCC=CC(C)C(C)CC.CCCCC=CCC(C)C(C)C
InChIInChI=1S/2C12H24/c1-5-6-7-8-9-10-12(4)11(2)3;1-5-7-8-9-10-12(4)11(3)6-2/h8-9,11-12H,5-7,10H2,1-4H3;9-12H,5-8H2,1-4H3
InChIKeyXTFXIYKMCFBWHU-UHFFFAOYSA-N
XLogP8.83
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds12
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.65
LogP ≤ 58.83
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

4,5-dimethylicos-6-ene
CID 72645531
(E)-5,6-dimethylhexadec-7-ene
CID 173368393
(E)-3-methylnon-4-ene
CID 13082837
(E,2R)-non-4-en-2-ol
CID 131232400
(4E,14E)-2-methylnonadeca-4,14-diene
CID 177270218
4-methylundeca-2,6-diene
CID 173179145
3-methylundec-5-en-2-ol
CID 91383735
(E)-dec-5-en-3-ol
CID 21493231
2-methyldodeca-4,7-diene
CID 123659021
diethyl 2-[(E)-oct-3-en-2-yl]propanedioate
CID 11369249
(Z)-2-methyloct-3-ene;octane
CID 159051061
3,7,8-trimethylnon-4-ene
CID 91465939

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyldec-5-ene;3,4-dimethyldec-5-ene?
The IUPAC name of 2,3-dimethyldec-5-ene;3,4-dimethyldec-5-ene (CID 173464801) is 2,3-dimethyldec-5-ene;3,4-dimethyldec-5-ene.
What is the SMILES notation for 2,3-dimethyldec-5-ene;3,4-dimethyldec-5-ene?
The canonical SMILES for 2,3-dimethyldec-5-ene;3,4-dimethyldec-5-ene is CCCCC=CC(C)C(C)CC.CCCCC=CCC(C)C(C)C.
What is the InChIKey of 2,3-dimethyldec-5-ene;3,4-dimethyldec-5-ene?
The InChIKey is XTFXIYKMCFBWHU-UHFFFAOYSA-N. The full InChI is InChI=1S/2C12H24/c1-5-6-7-8-9-10-12(4)11(2)3;1-5-7-8-9-10-12(4)11(3)6-2/h8-9,11-12H,5-7,10H2,1-4H3;9-12H,5-8H2,1-4H3.
What are the key properties of 2,3-dimethyldec-5-ene;3,4-dimethyldec-5-ene?
2,3-dimethyldec-5-ene;3,4-dimethyldec-5-ene has a molecular weight of 336.65 g/mol, XLogP of 8.83, 12 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyldec-5-ene;3,4-dimethyldec-5-ene is sourced from PubChem (CID 173464801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).