4-methoxy-3,3-dimethyl-4-propan-2-ylheptane

C13H28O — CID 23385032

IUPAC4-methoxy-3,3-dimethyl-4-propan-2-ylheptane
SMILESCCCC(OC)(C(C)C)C(C)(C)CC
InChIInChI=1S/C13H28O/c1-8-10-13(14-7,11(3)4)12(5,6)9-2/h11H,8-10H2,1-7H3
InChIKeyAIYOYRBOVMDCIS-UHFFFAOYSA-N
MW200.37 g/mol
LogP4.26
Rot. Bonds6

About 4-methoxy-3,3-dimethyl-4-propan-2-ylheptane

4-methoxy-3,3-dimethyl-4-propan-2-ylheptane (PubChem CID 23385032) has the molecular formula C13H28O and a molecular weight of 200.37 g/mol. Its IUPAC name is 4-methoxy-3,3-dimethyl-4-propan-2-ylheptane.

Molecular Properties

Compound Name4-methoxy-3,3-dimethyl-4-propan-2-ylheptane
PubChem CID23385032
Molecular FormulaC13H28O
Molecular Weight200.37 g/mol
Exact Mass200.21
IUPAC Name4-methoxy-3,3-dimethyl-4-propan-2-ylheptane
SMILESCCCC(OC)(C(C)C)C(C)(C)CC
InChIInChI=1S/C13H28O/c1-8-10-13(14-7,11(3)4)12(5,6)9-2/h11H,8-10H2,1-7H3
InChIKeyAIYOYRBOVMDCIS-UHFFFAOYSA-N
XLogP4.26
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
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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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3,3-dimethyl-4-propan-2-ylheptane?
The IUPAC name of 4-methoxy-3,3-dimethyl-4-propan-2-ylheptane (CID 23385032) is 4-methoxy-3,3-dimethyl-4-propan-2-ylheptane.
What is the SMILES notation for 4-methoxy-3,3-dimethyl-4-propan-2-ylheptane?
The canonical SMILES for 4-methoxy-3,3-dimethyl-4-propan-2-ylheptane is CCCC(OC)(C(C)C)C(C)(C)CC.
What is the InChIKey of 4-methoxy-3,3-dimethyl-4-propan-2-ylheptane?
The InChIKey is AIYOYRBOVMDCIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28O/c1-8-10-13(14-7,11(3)4)12(5,6)9-2/h11H,8-10H2,1-7H3.
What are the key properties of 4-methoxy-3,3-dimethyl-4-propan-2-ylheptane?
4-methoxy-3,3-dimethyl-4-propan-2-ylheptane has a molecular weight of 200.37 g/mol, XLogP of 4.26, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-3,3-dimethyl-4-propan-2-ylheptane is sourced from PubChem (CID 23385032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).