1,2-dimethoxy-4,4-dimethylpentane

C9H20O2 — CID 59679444

IUPAC1,2-dimethoxy-4,4-dimethylpentane
SMILESCOCC(CC(C)(C)C)OC
InChIInChI=1S/C9H20O2/c1-9(2,3)6-8(11-5)7-10-4/h8H,6-7H2,1-5H3
InChIKeyNZRYKGHSUAUMAO-UHFFFAOYSA-N
MW160.26 g/mol
LogP2.08
Rot. Bonds4

About 1,2-dimethoxy-4,4-dimethylpentane

1,2-dimethoxy-4,4-dimethylpentane (PubChem CID 59679444) has the molecular formula C9H20O2 and a molecular weight of 160.26 g/mol. Its IUPAC name is 1,2-dimethoxy-4,4-dimethylpentane.

Molecular Properties

Compound Name1,2-dimethoxy-4,4-dimethylpentane
PubChem CID59679444
Molecular FormulaC9H20O2
Molecular Weight160.26 g/mol
Exact Mass160.15
IUPAC Name1,2-dimethoxy-4,4-dimethylpentane
SMILESCOCC(CC(C)(C)C)OC
InChIInChI=1S/C9H20O2/c1-9(2,3)6-8(11-5)7-10-4/h8H,6-7H2,1-5H3
InChIKeyNZRYKGHSUAUMAO-UHFFFAOYSA-N
XLogP2.08
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.26
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,2-dimethoxy-4,4-dimethylpentane?
The IUPAC name of 1,2-dimethoxy-4,4-dimethylpentane (CID 59679444) is 1,2-dimethoxy-4,4-dimethylpentane.
What is the SMILES notation for 1,2-dimethoxy-4,4-dimethylpentane?
The canonical SMILES for 1,2-dimethoxy-4,4-dimethylpentane is COCC(CC(C)(C)C)OC.
What is the InChIKey of 1,2-dimethoxy-4,4-dimethylpentane?
The InChIKey is NZRYKGHSUAUMAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20O2/c1-9(2,3)6-8(11-5)7-10-4/h8H,6-7H2,1-5H3.
What are the key properties of 1,2-dimethoxy-4,4-dimethylpentane?
1,2-dimethoxy-4,4-dimethylpentane has a molecular weight of 160.26 g/mol, XLogP of 2.08, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethoxy-4,4-dimethylpentane is sourced from PubChem (CID 59679444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).