1,3-dimethoxy-5-(2,4,4-trimethylpentan-2-yl)benzene

C16H26O2 — CID 144886169

IUPAC1,3-dimethoxy-5-(2,4,4-trimethylpentan-2-yl)benzene
SMILESCOc1cc(OC)cc(C(C)(C)CC(C)(C)C)c1
InChIInChI=1S/C16H26O2/c1-15(2,3)11-16(4,5)12-8-13(17-6)10-14(9-12)18-7/h8-10H,11H2,1-7H3
InChIKeyHQTBGQPMTPYXMO-UHFFFAOYSA-N
MW250.38 g/mol
LogP4.42
Rot. Bonds4

About 1,3-dimethoxy-5-(2,4,4-trimethylpentan-2-yl)benzene

1,3-dimethoxy-5-(2,4,4-trimethylpentan-2-yl)benzene (PubChem CID 144886169) has the molecular formula C16H26O2 and a molecular weight of 250.38 g/mol. Its IUPAC name is 1,3-dimethoxy-5-(2,4,4-trimethylpentan-2-yl)benzene.

Molecular Properties

Compound Name1,3-dimethoxy-5-(2,4,4-trimethylpentan-2-yl)benzene
PubChem CID144886169
Molecular FormulaC16H26O2
Molecular Weight250.38 g/mol
Exact Mass250.19
IUPAC Name1,3-dimethoxy-5-(2,4,4-trimethylpentan-2-yl)benzene
SMILESCOc1cc(OC)cc(C(C)(C)CC(C)(C)C)c1
InChIInChI=1S/C16H26O2/c1-15(2,3)11-16(4,5)12-8-13(17-6)10-14(9-12)18-7/h8-10H,11H2,1-7H3
InChIKeyHQTBGQPMTPYXMO-UHFFFAOYSA-N
XLogP4.42
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.38
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethoxy-5-(2,4,4-trimethylpentan-2-yl)benzene?
The IUPAC name of 1,3-dimethoxy-5-(2,4,4-trimethylpentan-2-yl)benzene (CID 144886169) is 1,3-dimethoxy-5-(2,4,4-trimethylpentan-2-yl)benzene.
What is the SMILES notation for 1,3-dimethoxy-5-(2,4,4-trimethylpentan-2-yl)benzene?
The canonical SMILES for 1,3-dimethoxy-5-(2,4,4-trimethylpentan-2-yl)benzene is COc1cc(OC)cc(C(C)(C)CC(C)(C)C)c1.
What is the InChIKey of 1,3-dimethoxy-5-(2,4,4-trimethylpentan-2-yl)benzene?
The InChIKey is HQTBGQPMTPYXMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26O2/c1-15(2,3)11-16(4,5)12-8-13(17-6)10-14(9-12)18-7/h8-10H,11H2,1-7H3.
What are the key properties of 1,3-dimethoxy-5-(2,4,4-trimethylpentan-2-yl)benzene?
1,3-dimethoxy-5-(2,4,4-trimethylpentan-2-yl)benzene has a molecular weight of 250.38 g/mol, XLogP of 4.42, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethoxy-5-(2,4,4-trimethylpentan-2-yl)benzene is sourced from PubChem (CID 144886169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).