1-(4,4-dimethylpentoxy)-4,4-dimethylpentane

C14H30O — CID 20765226

IUPAC1-(4,4-dimethylpentoxy)-4,4-dimethylpentane
SMILESCC(C)(C)CCCOCCCC(C)(C)C
InChIInChI=1S/C14H30O/c1-13(2,3)9-7-11-15-12-8-10-14(4,5)6/h7-12H2,1-6H3
InChIKeyCZFOXKISQNZKMT-UHFFFAOYSA-N
MW214.39 g/mol
LogP4.66
Rot. Bonds6

About 1-(4,4-dimethylpentoxy)-4,4-dimethylpentane

1-(4,4-dimethylpentoxy)-4,4-dimethylpentane (PubChem CID 20765226) has the molecular formula C14H30O and a molecular weight of 214.39 g/mol. Its IUPAC name is 1-(4,4-dimethylpentoxy)-4,4-dimethylpentane.

Molecular Properties

Compound Name1-(4,4-dimethylpentoxy)-4,4-dimethylpentane
PubChem CID20765226
Molecular FormulaC14H30O
Molecular Weight214.39 g/mol
Exact Mass214.23
IUPAC Name1-(4,4-dimethylpentoxy)-4,4-dimethylpentane
SMILESCC(C)(C)CCCOCCCC(C)(C)C
InChIInChI=1S/C14H30O/c1-13(2,3)9-7-11-15-12-8-10-14(4,5)6/h7-12H2,1-6H3
InChIKeyCZFOXKISQNZKMT-UHFFFAOYSA-N
XLogP4.66
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.39
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(4,4-dimethylpentoxy)-4,4-dimethylpentane?
The IUPAC name of 1-(4,4-dimethylpentoxy)-4,4-dimethylpentane (CID 20765226) is 1-(4,4-dimethylpentoxy)-4,4-dimethylpentane.
What is the SMILES notation for 1-(4,4-dimethylpentoxy)-4,4-dimethylpentane?
The canonical SMILES for 1-(4,4-dimethylpentoxy)-4,4-dimethylpentane is CC(C)(C)CCCOCCCC(C)(C)C.
What is the InChIKey of 1-(4,4-dimethylpentoxy)-4,4-dimethylpentane?
The InChIKey is CZFOXKISQNZKMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30O/c1-13(2,3)9-7-11-15-12-8-10-14(4,5)6/h7-12H2,1-6H3.
What are the key properties of 1-(4,4-dimethylpentoxy)-4,4-dimethylpentane?
1-(4,4-dimethylpentoxy)-4,4-dimethylpentane has a molecular weight of 214.39 g/mol, XLogP of 4.66, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,4-dimethylpentoxy)-4,4-dimethylpentane is sourced from PubChem (CID 20765226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).