3-methoxy-2,2,4,4-tetramethylpentane

C10H22O — CID 568142

IUPAC3-methoxy-2,2,4,4-tetramethylpentane
SMILESCOC(C(C)(C)C)C(C)(C)C
InChIInChI=1S/C10H22O/c1-9(2,3)8(11-7)10(4,5)6/h8H,1-7H3
InChIKeyMRUBMBKGFILSLG-UHFFFAOYSA-N
MW158.28 g/mol
LogP3.09
Rot. Bonds1

About 3-methoxy-2,2,4,4-tetramethylpentane

3-methoxy-2,2,4,4-tetramethylpentane (PubChem CID 568142) has the molecular formula C10H22O and a molecular weight of 158.28 g/mol. Its IUPAC name is 3-methoxy-2,2,4,4-tetramethylpentane.

Molecular Properties

Compound Name3-methoxy-2,2,4,4-tetramethylpentane
PubChem CID568142
Molecular FormulaC10H22O
Molecular Weight158.28 g/mol
Exact Mass158.17
IUPAC Name3-methoxy-2,2,4,4-tetramethylpentane
SMILESCOC(C(C)(C)C)C(C)(C)C
InChIInChI=1S/C10H22O/c1-9(2,3)8(11-7)10(4,5)6/h8H,1-7H3
InChIKeyMRUBMBKGFILSLG-UHFFFAOYSA-N
XLogP3.09
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.28
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-2,2,4,4-tetramethylpentane?
The IUPAC name of 3-methoxy-2,2,4,4-tetramethylpentane (CID 568142) is 3-methoxy-2,2,4,4-tetramethylpentane.
What is the SMILES notation for 3-methoxy-2,2,4,4-tetramethylpentane?
The canonical SMILES for 3-methoxy-2,2,4,4-tetramethylpentane is COC(C(C)(C)C)C(C)(C)C.
What is the InChIKey of 3-methoxy-2,2,4,4-tetramethylpentane?
The InChIKey is MRUBMBKGFILSLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22O/c1-9(2,3)8(11-7)10(4,5)6/h8H,1-7H3.
What are the key properties of 3-methoxy-2,2,4,4-tetramethylpentane?
3-methoxy-2,2,4,4-tetramethylpentane has a molecular weight of 158.28 g/mol, XLogP of 3.09, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-2,2,4,4-tetramethylpentane is sourced from PubChem (CID 568142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).