2,5-dimethylhex-1-ene;ethane;1-hex-1-en-2-yl-4-methylbenzene

C23H40 — CID 143117352

IUPAC2,5-dimethylhex-1-ene;ethane;1-hex-1-en-2-yl-4-methylbenzene
SMILESC=C(C)CCC(C)C.C=C(CCCC)c1ccc(C)cc1.CC
InChIInChI=1S/C13H18.C8H16.C2H6/c1-4-5-6-12(3)13-9-7-11(2)8-10-13;1-7(2)5-6-8(3)4;1-2/h7-10H,3-6H2,1-2H3;8H,1,5-6H2,2-4H3;1-2H3
InChIKeyBELXCMMQCBEOJW-UHFFFAOYSA-N
MW316.57 g/mol
LogP8.22
Rot. Bonds7

About 2,5-dimethylhex-1-ene;ethane;1-hex-1-en-2-yl-4-methylbenzene

2,5-dimethylhex-1-ene;ethane;1-hex-1-en-2-yl-4-methylbenzene (PubChem CID 143117352) has the molecular formula C23H40 and a molecular weight of 316.57 g/mol. Its IUPAC name is 2,5-dimethylhex-1-ene;ethane;1-hex-1-en-2-yl-4-methylbenzene.

Molecular Properties

Compound Name2,5-dimethylhex-1-ene;ethane;1-hex-1-en-2-yl-4-methylbenzene
PubChem CID143117352
Molecular FormulaC23H40
Molecular Weight316.57 g/mol
Exact Mass316.31
IUPAC Name2,5-dimethylhex-1-ene;ethane;1-hex-1-en-2-yl-4-methylbenzene
SMILESC=C(C)CCC(C)C.C=C(CCCC)c1ccc(C)cc1.CC
InChIInChI=1S/C13H18.C8H16.C2H6/c1-4-5-6-12(3)13-9-7-11(2)8-10-13;1-7(2)5-6-8(3)4;1-2/h7-10H,3-6H2,1-2H3;8H,1,5-6H2,2-4H3;1-2H3
InChIKeyBELXCMMQCBEOJW-UHFFFAOYSA-N
XLogP8.22
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500316.57
LogP ≤ 58.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 2,5-dimethylhex-1-ene;ethane;1-hex-1-en-2-yl-4-methylbenzene with MolForge

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Related Compounds

1-methyl-4-[4-(5-methylhex-1-en-2-yl)phenyl]benzene
CID 163776983
1-methyl-4-(7-methylocta-1,7-dien-2-yl)benzene
CID 143865907
1-dec-1-en-2-yl-4-methylbenzene
CID 3805374
1-methyl-4-[7-(4-methylphenyl)octa-1,7-dien-2-yl]benzene
CID 15247721
1-hex-1-en-2-yl-4-propylbenzene
CID 22166244
1-methyl-4-[5-methyl-1-(4-methylphenyl)-2-propylhex-1-enyl]benzene
CID 142510779
hex-1-en-2-ylbenzene;propan-2-one
CID 142095367
2-methylhexane;4-methylphenol
CID 144980508
18-methylnonadec-1-en-2-ylbenzene;12-methyltridec-1-en-2-ylbenzene
CID 173456642
3-methyl-6-(6-methylhept-1-en-2-yl)-1-pentylnaphthalene
CID 164834348
(3S)-2,6-dimethyl-N-[1-(4-methylphenyl)ethenyl]hepta-1,6-dien-3-amine
CID 170007341
5-butyl-4-methylidene-1-(4-methylphenyl)nonan-1-one
CID 101165457

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethylhex-1-ene;ethane;1-hex-1-en-2-yl-4-methylbenzene?
The IUPAC name of 2,5-dimethylhex-1-ene;ethane;1-hex-1-en-2-yl-4-methylbenzene (CID 143117352) is 2,5-dimethylhex-1-ene;ethane;1-hex-1-en-2-yl-4-methylbenzene.
What is the SMILES notation for 2,5-dimethylhex-1-ene;ethane;1-hex-1-en-2-yl-4-methylbenzene?
The canonical SMILES for 2,5-dimethylhex-1-ene;ethane;1-hex-1-en-2-yl-4-methylbenzene is C=C(C)CCC(C)C.C=C(CCCC)c1ccc(C)cc1.CC.
What is the InChIKey of 2,5-dimethylhex-1-ene;ethane;1-hex-1-en-2-yl-4-methylbenzene?
The InChIKey is BELXCMMQCBEOJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18.C8H16.C2H6/c1-4-5-6-12(3)13-9-7-11(2)8-10-13;1-7(2)5-6-8(3)4;1-2/h7-10H,3-6H2,1-2H3;8H,1,5-6H2,2-4H3;1-2H3.
What are the key properties of 2,5-dimethylhex-1-ene;ethane;1-hex-1-en-2-yl-4-methylbenzene?
2,5-dimethylhex-1-ene;ethane;1-hex-1-en-2-yl-4-methylbenzene has a molecular weight of 316.57 g/mol, XLogP of 8.22, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethylhex-1-ene;ethane;1-hex-1-en-2-yl-4-methylbenzene is sourced from PubChem (CID 143117352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).