1-[4-(2,2-dimethylpropoxy)butoxy]-5-[(2-methylpropan-2-yl)oxy]pentane

C18H38O3 — CID 131972636

IUPAC1-[4-(2,2-dimethylpropoxy)butoxy]-5-[(2-methylpropan-2-yl)oxy]pentane
SMILESCC(C)(C)COCCCCOCCCCCOC(C)(C)C
InChIInChI=1S/C18H38O3/c1-17(2,3)16-20-14-11-10-13-19-12-8-7-9-15-21-18(4,5)6/h7-16H2,1-6H3
InChIKeyOILCKVLKFBXZJE-UHFFFAOYSA-N
MW302.50 g/mol
LogP4.83
Rot. Bonds12

About 1-[4-(2,2-dimethylpropoxy)butoxy]-5-[(2-methylpropan-2-yl)oxy]pentane

1-[4-(2,2-dimethylpropoxy)butoxy]-5-[(2-methylpropan-2-yl)oxy]pentane (PubChem CID 131972636) has the molecular formula C18H38O3 and a molecular weight of 302.50 g/mol. Its IUPAC name is 1-[4-(2,2-dimethylpropoxy)butoxy]-5-[(2-methylpropan-2-yl)oxy]pentane.

Molecular Properties

Compound Name1-[4-(2,2-dimethylpropoxy)butoxy]-5-[(2-methylpropan-2-yl)oxy]pentane
PubChem CID131972636
Molecular FormulaC18H38O3
Molecular Weight302.50 g/mol
Exact Mass302.28
IUPAC Name1-[4-(2,2-dimethylpropoxy)butoxy]-5-[(2-methylpropan-2-yl)oxy]pentane
SMILESCC(C)(C)COCCCCOCCCCCOC(C)(C)C
InChIInChI=1S/C18H38O3/c1-17(2,3)16-20-14-11-10-13-19-12-8-7-9-15-21-18(4,5)6/h7-16H2,1-6H3
InChIKeyOILCKVLKFBXZJE-UHFFFAOYSA-N
XLogP4.83
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.50
LogP ≤ 54.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,2-dimethyl-1-[4-[(2-methylpropan-2-yl)oxy]butoxy]propane
CID 134553500
6,6-dimethyl-1-[5-[(2-methylpropan-2-yl)oxy]pentoxy]heptane
CID 159349044
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
2,2-dimethyl-1-[2-[2-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]ethoxy]ethoxy]propane
CID 134553502
1-ethoxy-5-[(2-methylpropan-2-yl)oxy]pentane
CID 88911131
2-[2-[2-[2-[2-[2-[2-[2-[14-[(2-methylpropan-2-yl)oxy]tetradecoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 139596860
2-[2-[2-[2-[2-[13-[(2-methylpropan-2-yl)oxy]tridecoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 139595009
2-[2-[2-[2-[2-[2-[2-[13-[(2-methylpropan-2-yl)oxy]tridecoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 139596591
1-[2-(2,2-dimethylpropoxy)ethoxy]hexadecane
CID 175012315
1-[3-(2,2-dimethylpropoxy)propoxy]hexane
CID 166789205
7,7-dimethyl-1-[(2-methylpropan-2-yl)oxy]octane
CID 22907243
1-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]hexane
CID 164583744

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2,2-dimethylpropoxy)butoxy]-5-[(2-methylpropan-2-yl)oxy]pentane?
The IUPAC name of 1-[4-(2,2-dimethylpropoxy)butoxy]-5-[(2-methylpropan-2-yl)oxy]pentane (CID 131972636) is 1-[4-(2,2-dimethylpropoxy)butoxy]-5-[(2-methylpropan-2-yl)oxy]pentane.
What is the SMILES notation for 1-[4-(2,2-dimethylpropoxy)butoxy]-5-[(2-methylpropan-2-yl)oxy]pentane?
The canonical SMILES for 1-[4-(2,2-dimethylpropoxy)butoxy]-5-[(2-methylpropan-2-yl)oxy]pentane is CC(C)(C)COCCCCOCCCCCOC(C)(C)C.
What is the InChIKey of 1-[4-(2,2-dimethylpropoxy)butoxy]-5-[(2-methylpropan-2-yl)oxy]pentane?
The InChIKey is OILCKVLKFBXZJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H38O3/c1-17(2,3)16-20-14-11-10-13-19-12-8-7-9-15-21-18(4,5)6/h7-16H2,1-6H3.
What are the key properties of 1-[4-(2,2-dimethylpropoxy)butoxy]-5-[(2-methylpropan-2-yl)oxy]pentane?
1-[4-(2,2-dimethylpropoxy)butoxy]-5-[(2-methylpropan-2-yl)oxy]pentane has a molecular weight of 302.50 g/mol, XLogP of 4.83, 12 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2,2-dimethylpropoxy)butoxy]-5-[(2-methylpropan-2-yl)oxy]pentane is sourced from PubChem (CID 131972636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).