6,6-dimethyl-1-[5-[(2-methylpropan-2-yl)oxy]pentoxy]heptane

C18H38O2 — CID 159349044

IUPAC6,6-dimethyl-1-[5-[(2-methylpropan-2-yl)oxy]pentoxy]heptane
SMILESCC(C)(C)CCCCCOCCCCCOC(C)(C)C
InChIInChI=1S/C18H38O2/c1-17(2,3)13-9-7-10-14-19-15-11-8-12-16-20-18(4,5)6/h7-16H2,1-6H3
InChIKeyBPZXMDGWBBGECW-UHFFFAOYSA-N
MW286.50 g/mol
LogP5.59
Rot. Bonds11

About 6,6-dimethyl-1-[5-[(2-methylpropan-2-yl)oxy]pentoxy]heptane

6,6-dimethyl-1-[5-[(2-methylpropan-2-yl)oxy]pentoxy]heptane (PubChem CID 159349044) has the molecular formula C18H38O2 and a molecular weight of 286.50 g/mol. Its IUPAC name is 6,6-dimethyl-1-[5-[(2-methylpropan-2-yl)oxy]pentoxy]heptane.

Molecular Properties

Compound Name6,6-dimethyl-1-[5-[(2-methylpropan-2-yl)oxy]pentoxy]heptane
PubChem CID159349044
Molecular FormulaC18H38O2
Molecular Weight286.50 g/mol
Exact Mass286.29
IUPAC Name6,6-dimethyl-1-[5-[(2-methylpropan-2-yl)oxy]pentoxy]heptane
SMILESCC(C)(C)CCCCCOCCCCCOC(C)(C)C
InChIInChI=1S/C18H38O2/c1-17(2,3)13-9-7-10-14-19-15-11-8-12-16-20-18(4,5)6/h7-16H2,1-6H3
InChIKeyBPZXMDGWBBGECW-UHFFFAOYSA-N
XLogP5.59
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500286.50
LogP ≤ 55.59
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

7,7-dimethyl-1-[(2-methylpropan-2-yl)oxy]octane
CID 22907243
6,6-dimethyl-1-[3-[3-[(2-methylpropan-2-yl)oxy]propoxy]propoxy]heptane;6,6-dimethyl-1-[3-[3-[3-[(2-methylpropan-2-yl)oxy]propoxy]propoxy]propoxy]heptane;methane;1-(3-methoxypropoxy)-6,6-dimethylheptane
CID 158388526
1-[4-(2,2-dimethylpropoxy)butoxy]-5-[(2-methylpropan-2-yl)oxy]pentane
CID 131972636
1-[5-(4,4-dimethylpentoxy)pentoxy]-4,4-dimethylpentane
CID 158699807
2,2-dimethyl-1-[4-[(2-methylpropan-2-yl)oxy]butoxy]propane
CID 134553500
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
1-(5,5-dimethylhexoxy)octadecane
CID 172523117
1-butoxy-5,5-dimethylhexane
CID 134574772
1-ethoxy-6,6-dimethylheptane
CID 58021102
1-ethoxy-5-[(2-methylpropan-2-yl)oxy]pentane
CID 88911131
1-ethoxy-10,10-dimethylundecane
CID 150524219
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

Frequently Asked Questions

What is the IUPAC name of 6,6-dimethyl-1-[5-[(2-methylpropan-2-yl)oxy]pentoxy]heptane?
The IUPAC name of 6,6-dimethyl-1-[5-[(2-methylpropan-2-yl)oxy]pentoxy]heptane (CID 159349044) is 6,6-dimethyl-1-[5-[(2-methylpropan-2-yl)oxy]pentoxy]heptane.
What is the SMILES notation for 6,6-dimethyl-1-[5-[(2-methylpropan-2-yl)oxy]pentoxy]heptane?
The canonical SMILES for 6,6-dimethyl-1-[5-[(2-methylpropan-2-yl)oxy]pentoxy]heptane is CC(C)(C)CCCCCOCCCCCOC(C)(C)C.
What is the InChIKey of 6,6-dimethyl-1-[5-[(2-methylpropan-2-yl)oxy]pentoxy]heptane?
The InChIKey is BPZXMDGWBBGECW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H38O2/c1-17(2,3)13-9-7-10-14-19-15-11-8-12-16-20-18(4,5)6/h7-16H2,1-6H3.
What are the key properties of 6,6-dimethyl-1-[5-[(2-methylpropan-2-yl)oxy]pentoxy]heptane?
6,6-dimethyl-1-[5-[(2-methylpropan-2-yl)oxy]pentoxy]heptane has a molecular weight of 286.50 g/mol, XLogP of 5.59, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-dimethyl-1-[5-[(2-methylpropan-2-yl)oxy]pentoxy]heptane is sourced from PubChem (CID 159349044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).