2,5-dimethylhexylbenzene;prop-1-ene;1,4-xylene

C25H38 — CID 144723540

IUPAC2,5-dimethylhexylbenzene;prop-1-ene;1,4-xylene
SMILESC=CC.CC(C)CCC(C)Cc1ccccc1.Cc1ccc(C)cc1
InChIInChI=1S/C14H22.C8H10.C3H6/c1-12(2)9-10-13(3)11-14-7-5-4-6-8-14;1-7-3-5-8(2)6-4-7;1-3-2/h4-8,12-13H,9-11H2,1-3H3;3-6H,1-2H3;3H,1H2,2H3
InChIKeyFKUVESXLEPUJCU-UHFFFAOYSA-N
MW338.58 g/mol
LogP7.80
Rot. Bonds5

About 2,5-dimethylhexylbenzene;prop-1-ene;1,4-xylene

2,5-dimethylhexylbenzene;prop-1-ene;1,4-xylene (PubChem CID 144723540) has the molecular formula C25H38 and a molecular weight of 338.58 g/mol. Its IUPAC name is 2,5-dimethylhexylbenzene;prop-1-ene;1,4-xylene.

Molecular Properties

Compound Name2,5-dimethylhexylbenzene;prop-1-ene;1,4-xylene
PubChem CID144723540
Molecular FormulaC25H38
Molecular Weight338.58 g/mol
Exact Mass338.30
IUPAC Name2,5-dimethylhexylbenzene;prop-1-ene;1,4-xylene
SMILESC=CC.CC(C)CCC(C)Cc1ccccc1.Cc1ccc(C)cc1
InChIInChI=1S/C14H22.C8H10.C3H6/c1-12(2)9-10-13(3)11-14-7-5-4-6-8-14;1-7-3-5-8(2)6-4-7;1-3-2/h4-8,12-13H,9-11H2,1-3H3;3-6H,1-2H3;3H,1H2,2H3
InChIKeyFKUVESXLEPUJCU-UHFFFAOYSA-N
XLogP7.80
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.58
LogP ≤ 57.80
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

[(2R)-2-methylpent-4-enyl]benzene
CID 163762006
ethenol;1-methyl-4-(2-methylpropyl)benzene
CID 163264631
dichloro-(5-methyl-1-phenylhexan-2-yl)silane
CID 173440761
[(2S)-4-methoxy-2-methylbutyl]benzene
CID 70313401
acetylene;hydrogen;(2-methyl-4-phenylbutyl)benzene
CID 143824373
(2S)-N-methyl-1-phenylpropan-2-amine;1,4-xylene
CID 174875624
[(2R,5R)-5-ethyl-2-methyloctyl]benzene
CID 3085733
ethane;2-methylpropylbenzene
CID 162200929
2-methylheptylbenzene;2-methyloctylbenzene
CID 174049605
ethane;2-methylheptylbenzene
CID 142204161
(4S)-4-methyl-5-phenylpentanoic acid
CID 6995676
N-[6-methyl-2-(3-methylbutyl)-7-phenylheptyl]aniline
CID 166649151

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethylhexylbenzene;prop-1-ene;1,4-xylene?
The IUPAC name of 2,5-dimethylhexylbenzene;prop-1-ene;1,4-xylene (CID 144723540) is 2,5-dimethylhexylbenzene;prop-1-ene;1,4-xylene.
What is the SMILES notation for 2,5-dimethylhexylbenzene;prop-1-ene;1,4-xylene?
The canonical SMILES for 2,5-dimethylhexylbenzene;prop-1-ene;1,4-xylene is C=CC.CC(C)CCC(C)Cc1ccccc1.Cc1ccc(C)cc1.
What is the InChIKey of 2,5-dimethylhexylbenzene;prop-1-ene;1,4-xylene?
The InChIKey is FKUVESXLEPUJCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22.C8H10.C3H6/c1-12(2)9-10-13(3)11-14-7-5-4-6-8-14;1-7-3-5-8(2)6-4-7;1-3-2/h4-8,12-13H,9-11H2,1-3H3;3-6H,1-2H3;3H,1H2,2H3.
What are the key properties of 2,5-dimethylhexylbenzene;prop-1-ene;1,4-xylene?
2,5-dimethylhexylbenzene;prop-1-ene;1,4-xylene has a molecular weight of 338.58 g/mol, XLogP of 7.80, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethylhexylbenzene;prop-1-ene;1,4-xylene is sourced from PubChem (CID 144723540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).