1-[3-(2,2-dimethylpropoxy)propoxy]hexane

C14H30O2 — CID 166789205

IUPAC1-[3-(2,2-dimethylpropoxy)propoxy]hexane
SMILESCCCCCCOCCCOCC(C)(C)C
InChIInChI=1S/C14H30O2/c1-5-6-7-8-10-15-11-9-12-16-13-14(2,3)4/h5-13H2,1-4H3
InChIKeyHQDYUGQFILBOIX-UHFFFAOYSA-N
MW230.39 g/mol
LogP4.04
Rot. Bonds10

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

1-[3-(2,2-dimethylpropoxy)propoxy]hexane (PubChem CID 166789205) has the molecular formula C14H30O2 and a molecular weight of 230.39 g/mol. Its IUPAC name is 1-[3-(2,2-dimethylpropoxy)propoxy]hexane.

Molecular Properties

Compound Name1-[3-(2,2-dimethylpropoxy)propoxy]hexane
PubChem CID166789205
Molecular FormulaC14H30O2
Molecular Weight230.39 g/mol
Exact Mass230.22
IUPAC Name1-[3-(2,2-dimethylpropoxy)propoxy]hexane
SMILESCCCCCCOCCCOCC(C)(C)C
InChIInChI=1S/C14H30O2/c1-5-6-7-8-10-15-11-9-12-16-13-14(2,3)4/h5-13H2,1-4H3
InChIKeyHQDYUGQFILBOIX-UHFFFAOYSA-N
XLogP4.04
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.39
LogP ≤ 54.04
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-(2,2-dimethylpropoxy)ethoxy]hexadecane
CID 175012315
1-(3-octoxypropoxy)nonane
CID 123372111
1-decoxydocosane
CID 87077677
1-dodecoxyhexadecane
CID 22256973
1-heptoxydocosane
CID 91692957
1-(6-pentadecoxyhexoxy)pentadecane
CID 139884766
1-heptacosoxyheptacosane
CID 57287180
1-(6-octadecoxyhexoxy)octadecane
CID 139884769
1-(7-tetradecoxyheptoxy)tetradecane
CID 139884729
1-hexacosoxyhexacosane
CID 56611156
1-(5,5-dimethylhexoxy)octadecane
CID 172523117
2-methyl-1,3-dioctoxypropan-2-amine
CID 142136398

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2,2-dimethylpropoxy)propoxy]hexane?
The IUPAC name of 1-[3-(2,2-dimethylpropoxy)propoxy]hexane (CID 166789205) is 1-[3-(2,2-dimethylpropoxy)propoxy]hexane.
What is the SMILES notation for 1-[3-(2,2-dimethylpropoxy)propoxy]hexane?
The canonical SMILES for 1-[3-(2,2-dimethylpropoxy)propoxy]hexane is CCCCCCOCCCOCC(C)(C)C.
What is the InChIKey of 1-[3-(2,2-dimethylpropoxy)propoxy]hexane?
The InChIKey is HQDYUGQFILBOIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30O2/c1-5-6-7-8-10-15-11-9-12-16-13-14(2,3)4/h5-13H2,1-4H3.
What are the key properties of 1-[3-(2,2-dimethylpropoxy)propoxy]hexane?
1-[3-(2,2-dimethylpropoxy)propoxy]hexane has a molecular weight of 230.39 g/mol, XLogP of 4.04, 10 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]hexane is sourced from PubChem (CID 166789205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).