6,8-dimethoxyoctan-4-ylbenzene

C16H26O2 — CID 175195889

IUPAC6,8-dimethoxyoctan-4-ylbenzene
SMILESCCCC(CC(CCOC)OC)c1ccccc1
InChIInChI=1S/C16H26O2/c1-4-8-15(14-9-6-5-7-10-14)13-16(18-3)11-12-17-2/h5-7,9-10,15-16H,4,8,11-13H2,1-3H3
InChIKeyOQBZGWWTPYHTDO-UHFFFAOYSA-N
MW250.38 g/mol
LogP4.01
Rot. Bonds9

About 6,8-dimethoxyoctan-4-ylbenzene

6,8-dimethoxyoctan-4-ylbenzene (PubChem CID 175195889) has the molecular formula C16H26O2 and a molecular weight of 250.38 g/mol. Its IUPAC name is 6,8-dimethoxyoctan-4-ylbenzene.

Molecular Properties

Compound Name6,8-dimethoxyoctan-4-ylbenzene
PubChem CID175195889
Molecular FormulaC16H26O2
Molecular Weight250.38 g/mol
Exact Mass250.19
IUPAC Name6,8-dimethoxyoctan-4-ylbenzene
SMILESCCCC(CC(CCOC)OC)c1ccccc1
InChIInChI=1S/C16H26O2/c1-4-8-15(14-9-6-5-7-10-14)13-16(18-3)11-12-17-2/h5-7,9-10,15-16H,4,8,11-13H2,1-3H3
InChIKeyOQBZGWWTPYHTDO-UHFFFAOYSA-N
XLogP4.01
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.38
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1,1-diphenylhexan-3-ylbenzene
CID 57087261
N-(2-methoxyethyl)-2-phenylpentan-1-amine
CID 65431371
[(6R)-7-ethyl-6-methylnonan-4-yl]benzene
CID 153439336
2-fluoroheptan-4-ylbenzene
CID 174378334
[(1R)-1-bromo-3-methoxypropyl]benzene
CID 129389905
4,6-diphenylnonane-1,1-diol
CID 162161241
(1,6-dimethoxy-4-phenylhexan-3-yl)benzene
CID 12709498
N-(2,3-dimethoxypropyl)-1-phenylbutan-1-amine
CID 113368973
[1-(2,4-diphenylbutyl)-3-phenylhexyl]benzene
CID 119080873
1-chloropentan-2-ylbenzene
CID 524326
2-phenylpentan-1-amine
CID 14321247
[methoxy(2-methoxyethoxy)methyl]benzene
CID 139725330

Frequently Asked Questions

What is the IUPAC name of 6,8-dimethoxyoctan-4-ylbenzene?
The IUPAC name of 6,8-dimethoxyoctan-4-ylbenzene (CID 175195889) is 6,8-dimethoxyoctan-4-ylbenzene.
What is the SMILES notation for 6,8-dimethoxyoctan-4-ylbenzene?
The canonical SMILES for 6,8-dimethoxyoctan-4-ylbenzene is CCCC(CC(CCOC)OC)c1ccccc1.
What is the InChIKey of 6,8-dimethoxyoctan-4-ylbenzene?
The InChIKey is OQBZGWWTPYHTDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26O2/c1-4-8-15(14-9-6-5-7-10-14)13-16(18-3)11-12-17-2/h5-7,9-10,15-16H,4,8,11-13H2,1-3H3.
What are the key properties of 6,8-dimethoxyoctan-4-ylbenzene?
6,8-dimethoxyoctan-4-ylbenzene has a molecular weight of 250.38 g/mol, XLogP of 4.01, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,8-dimethoxyoctan-4-ylbenzene is sourced from PubChem (CID 175195889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).