2,3,5-trimethylhexan-3-ylbenzene

C15H24 — CID 123149580

IUPAC2,3,5-trimethylhexan-3-ylbenzene
SMILESCC(C)CC(C)(c1ccccc1)C(C)C
InChIInChI=1S/C15H24/c1-12(2)11-15(5,13(3)4)14-9-7-6-8-10-14/h6-10,12-13H,11H2,1-5H3
InChIKeySUHRDYDMSQXTCI-UHFFFAOYSA-N
MW204.36 g/mol
LogP4.65
Rot. Bonds4

About 2,3,5-trimethylhexan-3-ylbenzene

2,3,5-trimethylhexan-3-ylbenzene (PubChem CID 123149580) has the molecular formula C15H24 and a molecular weight of 204.36 g/mol. Its IUPAC name is 2,3,5-trimethylhexan-3-ylbenzene.

Molecular Properties

Compound Name2,3,5-trimethylhexan-3-ylbenzene
PubChem CID123149580
Molecular FormulaC15H24
Molecular Weight204.36 g/mol
Exact Mass204.19
IUPAC Name2,3,5-trimethylhexan-3-ylbenzene
SMILESCC(C)CC(C)(c1ccccc1)C(C)C
InChIInChI=1S/C15H24/c1-12(2)11-15(5,13(3)4)14-9-7-6-8-10-14/h6-10,12-13H,11H2,1-5H3
InChIKeySUHRDYDMSQXTCI-UHFFFAOYSA-N
XLogP4.65
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.36
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

(2,5-dimethyl-3-propan-2-ylhexan-3-yl)benzene
CID 22369928
(2-fluoro-3,3,5-trimethylhexan-2-yl)benzene
CID 155030770
[(3S)-3,5-dimethylhex-1-yn-3-yl]benzene
CID 134861944
(2,3,4,5-tetramethyl-4-phenylhexan-3-yl)benzene
CID 13047702
(2-tert-butylperoxy-4-methylpentan-2-yl)benzene
CID 54108901
2,3-dimethylbutan-2-ylbenzene;ethane;2-methylbutane
CID 142581096
(2R)-N,4-dimethyl-4-phenylpentan-2-amine
CID 42077724
(2R)-4-methyl-4-phenylpentan-2-ol
CID 69029171
CID 142554279
CID 142554279
2,3,6-trimethylheptan-2-ylbenzene
CID 20588991
(2R)-2,4-dimethyl-4-phenylpentan-1-amine
CID 42077880
2-(aminomethyl)-4-methyl-2-phenylpentan-1-ol
CID 106508028

Frequently Asked Questions

What is the IUPAC name of 2,3,5-trimethylhexan-3-ylbenzene?
The IUPAC name of 2,3,5-trimethylhexan-3-ylbenzene (CID 123149580) is 2,3,5-trimethylhexan-3-ylbenzene.
What is the SMILES notation for 2,3,5-trimethylhexan-3-ylbenzene?
The canonical SMILES for 2,3,5-trimethylhexan-3-ylbenzene is CC(C)CC(C)(c1ccccc1)C(C)C.
What is the InChIKey of 2,3,5-trimethylhexan-3-ylbenzene?
The InChIKey is SUHRDYDMSQXTCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24/c1-12(2)11-15(5,13(3)4)14-9-7-6-8-10-14/h6-10,12-13H,11H2,1-5H3.
What are the key properties of 2,3,5-trimethylhexan-3-ylbenzene?
2,3,5-trimethylhexan-3-ylbenzene has a molecular weight of 204.36 g/mol, XLogP of 4.65, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,5-trimethylhexan-3-ylbenzene is sourced from PubChem (CID 123149580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).