1-[3-(2,2-dimethylpropoxy)propoxy]-4,4-dimethylpentane

C15H32O2 — CID 131972641

IUPAC1-[3-(2,2-dimethylpropoxy)propoxy]-4,4-dimethylpentane
SMILESCC(C)(C)CCCOCCCOCC(C)(C)C
InChIInChI=1S/C15H32O2/c1-14(2,3)9-7-10-16-11-8-12-17-13-15(4,5)6/h7-13H2,1-6H3
InChIKeyPUICABVBSYPZOG-UHFFFAOYSA-N
MW244.42 g/mol
LogP4.28
Rot. Bonds8

About 1-[3-(2,2-dimethylpropoxy)propoxy]-4,4-dimethylpentane

1-[3-(2,2-dimethylpropoxy)propoxy]-4,4-dimethylpentane (PubChem CID 131972641) has the molecular formula C15H32O2 and a molecular weight of 244.42 g/mol. Its IUPAC name is 1-[3-(2,2-dimethylpropoxy)propoxy]-4,4-dimethylpentane.

Molecular Properties

Compound Name1-[3-(2,2-dimethylpropoxy)propoxy]-4,4-dimethylpentane
PubChem CID131972641
Molecular FormulaC15H32O2
Molecular Weight244.42 g/mol
Exact Mass244.24
IUPAC Name1-[3-(2,2-dimethylpropoxy)propoxy]-4,4-dimethylpentane
SMILESCC(C)(C)CCCOCCCOCC(C)(C)C
InChIInChI=1S/C15H32O2/c1-14(2,3)9-7-10-16-11-8-12-17-13-15(4,5)6/h7-13H2,1-6H3
InChIKeyPUICABVBSYPZOG-UHFFFAOYSA-N
XLogP4.28
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.42
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[2-[3-(2,2-dimethylpropoxy)propoxy]ethoxy]-3,3-dimethylbutane
CID 176614157
1-[5-(4,4-dimethylpentoxy)pentoxy]-4,4-dimethylpentane
CID 158699807
1-(3,3-dimethylbutoxy)-3,3-dimethylbutane;4,4-dimethyl-1-[(2-methylpropan-2-yl)oxy]pentane;1-(2,2-dimethylpropoxy)-4,4-dimethylpentane
CID 162057209
3-(4,4-dimethylpentoxy)propoxysilane
CID 123352079
1-[(Z)-4-(2,2-dimethylpropoxy)but-2-enoxy]-4,4-dimethylpentane
CID 155602878
1-[2-[2-[2-[2-(2,2-dimethylpropoxy)ethoxy]ethoxy]ethoxy]ethoxy]-3,3-dimethylbutane
CID 131972620
1-[3-(2,2-dimethylpropoxy)propoxy]hexane
CID 166789205
2-[2-[2-(4,4-dimethylpentoxy)ethoxy]ethoxy]ethanamine
CID 58409020
1-butoxy-5,5-dimethylhexane
CID 134574772
2,2-dimethyl-1-[4-[(2-methylpropan-2-yl)oxy]butoxy]propane
CID 134553500
1-(2-tert-butylsulfanylethoxy)-4,4-dimethylpentane
CID 155109854
4,4-dimethyl-1-[2-(2-propan-2-yloxyethoxy)ethoxy]pentane
CID 176777068

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2,2-dimethylpropoxy)propoxy]-4,4-dimethylpentane?
The IUPAC name of 1-[3-(2,2-dimethylpropoxy)propoxy]-4,4-dimethylpentane (CID 131972641) is 1-[3-(2,2-dimethylpropoxy)propoxy]-4,4-dimethylpentane.
What is the SMILES notation for 1-[3-(2,2-dimethylpropoxy)propoxy]-4,4-dimethylpentane?
The canonical SMILES for 1-[3-(2,2-dimethylpropoxy)propoxy]-4,4-dimethylpentane is CC(C)(C)CCCOCCCOCC(C)(C)C.
What is the InChIKey of 1-[3-(2,2-dimethylpropoxy)propoxy]-4,4-dimethylpentane?
The InChIKey is PUICABVBSYPZOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32O2/c1-14(2,3)9-7-10-16-11-8-12-17-13-15(4,5)6/h7-13H2,1-6H3.
What are the key properties of 1-[3-(2,2-dimethylpropoxy)propoxy]-4,4-dimethylpentane?
1-[3-(2,2-dimethylpropoxy)propoxy]-4,4-dimethylpentane has a molecular weight of 244.42 g/mol, XLogP of 4.28, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2,2-dimethylpropoxy)propoxy]-4,4-dimethylpentane is sourced from PubChem (CID 131972641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).