4-methoxy-5-methyl-1,1-di(propan-2-yloxy)hexane

C14H30O3 — CID 11032174

IUPAC4-methoxy-5-methyl-1,1-di(propan-2-yloxy)hexane
SMILESCOC(CCC(OC(C)C)OC(C)C)C(C)C
InChIInChI=1S/C14H30O3/c1-10(2)13(15-7)8-9-14(16-11(3)4)17-12(5)6/h10-14H,8-9H2,1-7H3
InChIKeyNZGATTNIERKRBD-UHFFFAOYSA-N
MW246.39 g/mol
LogP3.61
Rot. Bonds9

About 4-methoxy-5-methyl-1,1-di(propan-2-yloxy)hexane

4-methoxy-5-methyl-1,1-di(propan-2-yloxy)hexane (PubChem CID 11032174) has the molecular formula C14H30O3 and a molecular weight of 246.39 g/mol. Its IUPAC name is 4-methoxy-5-methyl-1,1-di(propan-2-yloxy)hexane.

Molecular Properties

Compound Name4-methoxy-5-methyl-1,1-di(propan-2-yloxy)hexane
PubChem CID11032174
Molecular FormulaC14H30O3
Molecular Weight246.39 g/mol
Exact Mass246.22
IUPAC Name4-methoxy-5-methyl-1,1-di(propan-2-yloxy)hexane
SMILESCOC(CCC(OC(C)C)OC(C)C)C(C)C
InChIInChI=1S/C14H30O3/c1-10(2)13(15-7)8-9-14(16-11(3)4)17-12(5)6/h10-14H,8-9H2,1-7H3
InChIKeyNZGATTNIERKRBD-UHFFFAOYSA-N
XLogP3.61
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.39
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-5-methyl-1,1-di(propan-2-yloxy)hexane?
The IUPAC name of 4-methoxy-5-methyl-1,1-di(propan-2-yloxy)hexane (CID 11032174) is 4-methoxy-5-methyl-1,1-di(propan-2-yloxy)hexane.
What is the SMILES notation for 4-methoxy-5-methyl-1,1-di(propan-2-yloxy)hexane?
The canonical SMILES for 4-methoxy-5-methyl-1,1-di(propan-2-yloxy)hexane is COC(CCC(OC(C)C)OC(C)C)C(C)C.
What is the InChIKey of 4-methoxy-5-methyl-1,1-di(propan-2-yloxy)hexane?
The InChIKey is NZGATTNIERKRBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30O3/c1-10(2)13(15-7)8-9-14(16-11(3)4)17-12(5)6/h10-14H,8-9H2,1-7H3.
What are the key properties of 4-methoxy-5-methyl-1,1-di(propan-2-yloxy)hexane?
4-methoxy-5-methyl-1,1-di(propan-2-yloxy)hexane has a molecular weight of 246.39 g/mol, XLogP of 3.61, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-5-methyl-1,1-di(propan-2-yloxy)hexane is sourced from PubChem (CID 11032174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).