4-tert-butyl-2-methoxy-2-methylheptane

C13H28O — CID 138550315

IUPAC4-tert-butyl-2-methoxy-2-methylheptane
SMILESCCCC(CC(C)(C)OC)C(C)(C)C
InChIInChI=1S/C13H28O/c1-8-9-11(12(2,3)4)10-13(5,6)14-7/h11H,8-10H2,1-7H3
InChIKeyAJEBSKBBPZTEOY-UHFFFAOYSA-N
MW200.37 g/mol
LogP4.26
Rot. Bonds5

About 4-tert-butyl-2-methoxy-2-methylheptane

4-tert-butyl-2-methoxy-2-methylheptane (PubChem CID 138550315) has the molecular formula C13H28O and a molecular weight of 200.37 g/mol. Its IUPAC name is 4-tert-butyl-2-methoxy-2-methylheptane.

Molecular Properties

Compound Name4-tert-butyl-2-methoxy-2-methylheptane
PubChem CID138550315
Molecular FormulaC13H28O
Molecular Weight200.37 g/mol
Exact Mass200.21
IUPAC Name4-tert-butyl-2-methoxy-2-methylheptane
SMILESCCCC(CC(C)(C)OC)C(C)(C)C
InChIInChI=1S/C13H28O/c1-8-9-11(12(2,3)4)10-13(5,6)14-7/h11H,8-10H2,1-7H3
InChIKeyAJEBSKBBPZTEOY-UHFFFAOYSA-N
XLogP4.26
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.37
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-(chloromethyl)-2-methoxy-2-methylheptane
CID 165445702
2-methoxy-N,2-dimethylheptan-4-amine
CID 103024818
4-tert-butyl-6,6-dimethyldecane
CID 173185098
3-ethyl-3-methoxy-4-propylheptane
CID 144783113
N-ethyl-2-methoxy-2,5-dimethyloctan-4-amine
CID 107893604
(2-methoxy-2-methyloctan-4-yl)hydrazine
CID 103025232
3-tert-butyl-2,2-dimethylhexane
CID 53428784
5-methoxy-5-methyl-2-propylhexan-1-amine
CID 103036614
7-methoxy-N,7-dimethyloctan-4-amine
CID 103031355
5-methoxy-2,5-dimethyl-N-propylhexan-3-amine
CID 103024809
N-ethyl-2-methoxy-2,6-dimethylnonan-4-amine
CID 103025130
4-(2-fluoropropan-2-yl)heptane
CID 143311381

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-2-methoxy-2-methylheptane?
The IUPAC name of 4-tert-butyl-2-methoxy-2-methylheptane (CID 138550315) is 4-tert-butyl-2-methoxy-2-methylheptane.
What is the SMILES notation for 4-tert-butyl-2-methoxy-2-methylheptane?
The canonical SMILES for 4-tert-butyl-2-methoxy-2-methylheptane is CCCC(CC(C)(C)OC)C(C)(C)C.
What is the InChIKey of 4-tert-butyl-2-methoxy-2-methylheptane?
The InChIKey is AJEBSKBBPZTEOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28O/c1-8-9-11(12(2,3)4)10-13(5,6)14-7/h11H,8-10H2,1-7H3.
What are the key properties of 4-tert-butyl-2-methoxy-2-methylheptane?
4-tert-butyl-2-methoxy-2-methylheptane has a molecular weight of 200.37 g/mol, XLogP of 4.26, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-2-methoxy-2-methylheptane is sourced from PubChem (CID 138550315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).