1-(2,6-dimethylheptan-2-yl)-3,5-dimethoxybenzene

C17H28O2 — CID 10220935

IUPAC1-(2,6-dimethylheptan-2-yl)-3,5-dimethoxybenzene
SMILESCOc1cc(OC)cc(C(C)(C)CCCC(C)C)c1
InChIInChI=1S/C17H28O2/c1-13(2)8-7-9-17(3,4)14-10-15(18-5)12-16(11-14)19-6/h10-13H,7-9H2,1-6H3
InChIKeyQXNXHHLQNOVTCL-UHFFFAOYSA-N
MW264.41 g/mol
LogP4.81
Rot. Bonds7

About 1-(2,6-dimethylheptan-2-yl)-3,5-dimethoxybenzene

1-(2,6-dimethylheptan-2-yl)-3,5-dimethoxybenzene (PubChem CID 10220935) has the molecular formula C17H28O2 and a molecular weight of 264.41 g/mol. Its IUPAC name is 1-(2,6-dimethylheptan-2-yl)-3,5-dimethoxybenzene.

Molecular Properties

Compound Name1-(2,6-dimethylheptan-2-yl)-3,5-dimethoxybenzene
PubChem CID10220935
Molecular FormulaC17H28O2
Molecular Weight264.41 g/mol
Exact Mass264.21
IUPAC Name1-(2,6-dimethylheptan-2-yl)-3,5-dimethoxybenzene
SMILESCOc1cc(OC)cc(C(C)(C)CCCC(C)C)c1
InChIInChI=1S/C17H28O2/c1-13(2)8-7-9-17(3,4)14-10-15(18-5)12-16(11-14)19-6/h10-13H,7-9H2,1-6H3
InChIKeyQXNXHHLQNOVTCL-UHFFFAOYSA-N
XLogP4.81
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.41
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dimethylheptan-2-yl)-3,5-dimethoxybenzene?
The IUPAC name of 1-(2,6-dimethylheptan-2-yl)-3,5-dimethoxybenzene (CID 10220935) is 1-(2,6-dimethylheptan-2-yl)-3,5-dimethoxybenzene.
What is the SMILES notation for 1-(2,6-dimethylheptan-2-yl)-3,5-dimethoxybenzene?
The canonical SMILES for 1-(2,6-dimethylheptan-2-yl)-3,5-dimethoxybenzene is COc1cc(OC)cc(C(C)(C)CCCC(C)C)c1.
What is the InChIKey of 1-(2,6-dimethylheptan-2-yl)-3,5-dimethoxybenzene?
The InChIKey is QXNXHHLQNOVTCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28O2/c1-13(2)8-7-9-17(3,4)14-10-15(18-5)12-16(11-14)19-6/h10-13H,7-9H2,1-6H3.
What are the key properties of 1-(2,6-dimethylheptan-2-yl)-3,5-dimethoxybenzene?
1-(2,6-dimethylheptan-2-yl)-3,5-dimethoxybenzene has a molecular weight of 264.41 g/mol, XLogP of 4.81, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dimethylheptan-2-yl)-3,5-dimethoxybenzene is sourced from PubChem (CID 10220935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).