1-(3,3-dimethylpentoxy)-3,3-dimethylpentane

C14H30O — CID 57226434

IUPAC1-(3,3-dimethylpentoxy)-3,3-dimethylpentane
SMILESCCC(C)(C)CCOCCC(C)(C)CC
InChIInChI=1S/C14H30O/c1-7-13(3,4)9-11-15-12-10-14(5,6)8-2/h7-12H2,1-6H3
InChIKeyYDMXYGZMIXGJNE-UHFFFAOYSA-N
MW214.39 g/mol
LogP4.66
Rot. Bonds8

About 1-(3,3-dimethylpentoxy)-3,3-dimethylpentane

1-(3,3-dimethylpentoxy)-3,3-dimethylpentane (PubChem CID 57226434) has the molecular formula C14H30O and a molecular weight of 214.39 g/mol. Its IUPAC name is 1-(3,3-dimethylpentoxy)-3,3-dimethylpentane.

Molecular Properties

Compound Name1-(3,3-dimethylpentoxy)-3,3-dimethylpentane
PubChem CID57226434
Molecular FormulaC14H30O
Molecular Weight214.39 g/mol
Exact Mass214.23
IUPAC Name1-(3,3-dimethylpentoxy)-3,3-dimethylpentane
SMILESCCC(C)(C)CCOCCC(C)(C)CC
InChIInChI=1S/C14H30O/c1-7-13(3,4)9-11-15-12-10-14(5,6)8-2/h7-12H2,1-6H3
InChIKeyYDMXYGZMIXGJNE-UHFFFAOYSA-N
XLogP4.66
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
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-(3,3-dimethylpentoxy)-3,3-dimethylpentane?
The IUPAC name of 1-(3,3-dimethylpentoxy)-3,3-dimethylpentane (CID 57226434) is 1-(3,3-dimethylpentoxy)-3,3-dimethylpentane.
What is the SMILES notation for 1-(3,3-dimethylpentoxy)-3,3-dimethylpentane?
The canonical SMILES for 1-(3,3-dimethylpentoxy)-3,3-dimethylpentane is CCC(C)(C)CCOCCC(C)(C)CC.
What is the InChIKey of 1-(3,3-dimethylpentoxy)-3,3-dimethylpentane?
The InChIKey is YDMXYGZMIXGJNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30O/c1-7-13(3,4)9-11-15-12-10-14(5,6)8-2/h7-12H2,1-6H3.
What are the key properties of 1-(3,3-dimethylpentoxy)-3,3-dimethylpentane?
1-(3,3-dimethylpentoxy)-3,3-dimethylpentane has a molecular weight of 214.39 g/mol, XLogP of 4.66, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3-dimethylpentoxy)-3,3-dimethylpentane is sourced from PubChem (CID 57226434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).