4-(3,3-dimethylhexyl)-1,2-dimethoxybenzene

C16H26O2 — CID 134479395

IUPAC4-(3,3-dimethylhexyl)-1,2-dimethoxybenzene
SMILESCCCC(C)(C)CCc1ccc(OC)c(OC)c1
InChIInChI=1S/C16H26O2/c1-6-10-16(2,3)11-9-13-7-8-14(17-4)15(12-13)18-5/h7-8,12H,6,9-11H2,1-5H3
InChIKeyGRKCTHADHYPLOR-UHFFFAOYSA-N
MW250.38 g/mol
LogP4.46
Rot. Bonds7

About 4-(3,3-dimethylhexyl)-1,2-dimethoxybenzene

4-(3,3-dimethylhexyl)-1,2-dimethoxybenzene (PubChem CID 134479395) has the molecular formula C16H26O2 and a molecular weight of 250.38 g/mol. Its IUPAC name is 4-(3,3-dimethylhexyl)-1,2-dimethoxybenzene.

Molecular Properties

Compound Name4-(3,3-dimethylhexyl)-1,2-dimethoxybenzene
PubChem CID134479395
Molecular FormulaC16H26O2
Molecular Weight250.38 g/mol
Exact Mass250.19
IUPAC Name4-(3,3-dimethylhexyl)-1,2-dimethoxybenzene
SMILESCCCC(C)(C)CCc1ccc(OC)c(OC)c1
InChIInChI=1S/C16H26O2/c1-6-10-16(2,3)11-9-13-7-8-14(17-4)15(12-13)18-5/h7-8,12H,6,9-11H2,1-5H3
InChIKeyGRKCTHADHYPLOR-UHFFFAOYSA-N
XLogP4.46
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.38
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-(3,4-dimethoxyphenyl)-2-methylbutan-2-amine
CID 91666775
1,2-dimethoxy-4-propylbenzene;methane
CID 159623020
5-(4-methoxy-3-methylphenyl)-3,3-dimethylpentan-1-amine
CID 65305287
4-(3,4-dimethoxyphenyl)-2,2-dimethylbutanoic acid
CID 65298131
N-[(3,4-dimethoxyphenyl)methyl]-2-methylpentan-2-amine
CID 113234422
3-(3,4-dimethoxyphenyl)-N-(2-methylpentan-2-yl)propanamide
CID 49366734
N-[2-(3,4-dimethoxyphenyl)ethyl]-3,3-dimethylbutan-1-amine
CID 60689759
1-(3,4-dimethoxyphenyl)-4,4-dimethylpentan-3-amine
CID 64503243
4-[2-[2-(3,4-dimethoxyphenyl)ethyldiselanyl]ethyl]-1,2-dimethoxybenzene
CID 13133800
2-(3,4-dimethoxyphenyl)ethanamine;hydroiodide
CID 46741035
4-(3,4-dipropoxyphenyl)-2,2-dimethylbutan-1-amine
CID 65301015
3-(aminomethyl)-4-(3,4-dimethoxyphenyl)-3-methylbutan-1-ol
CID 66091190

Frequently Asked Questions

What is the IUPAC name of 4-(3,3-dimethylhexyl)-1,2-dimethoxybenzene?
The IUPAC name of 4-(3,3-dimethylhexyl)-1,2-dimethoxybenzene (CID 134479395) is 4-(3,3-dimethylhexyl)-1,2-dimethoxybenzene.
What is the SMILES notation for 4-(3,3-dimethylhexyl)-1,2-dimethoxybenzene?
The canonical SMILES for 4-(3,3-dimethylhexyl)-1,2-dimethoxybenzene is CCCC(C)(C)CCc1ccc(OC)c(OC)c1.
What is the InChIKey of 4-(3,3-dimethylhexyl)-1,2-dimethoxybenzene?
The InChIKey is GRKCTHADHYPLOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26O2/c1-6-10-16(2,3)11-9-13-7-8-14(17-4)15(12-13)18-5/h7-8,12H,6,9-11H2,1-5H3.
What are the key properties of 4-(3,3-dimethylhexyl)-1,2-dimethoxybenzene?
4-(3,3-dimethylhexyl)-1,2-dimethoxybenzene has a molecular weight of 250.38 g/mol, XLogP of 4.46, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,3-dimethylhexyl)-1,2-dimethoxybenzene is sourced from PubChem (CID 134479395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).