1-(2-hexoxypropoxy)hexane

C15H32O2 — CID 71353992

IUPAC1-(2-hexoxypropoxy)hexane
SMILESCCCCCCOCC(C)OCCCCCC
InChIInChI=1S/C15H32O2/c1-4-6-8-10-12-16-14-15(3)17-13-11-9-7-5-2/h15H,4-14H2,1-3H3
InChIKeyPTMXXHPZOHBKKP-UHFFFAOYSA-N
MW244.42 g/mol
LogP4.57
Rot. Bonds13

About 1-(2-hexoxypropoxy)hexane

1-(2-hexoxypropoxy)hexane (PubChem CID 71353992) has the molecular formula C15H32O2 and a molecular weight of 244.42 g/mol. Its IUPAC name is 1-(2-hexoxypropoxy)hexane.

Molecular Properties

Compound Name1-(2-hexoxypropoxy)hexane
PubChem CID71353992
Molecular FormulaC15H32O2
Molecular Weight244.42 g/mol
Exact Mass244.24
IUPAC Name1-(2-hexoxypropoxy)hexane
SMILESCCCCCCOCC(C)OCCCCCC
InChIInChI=1S/C15H32O2/c1-4-6-8-10-12-16-14-15(3)17-13-11-9-7-5-2/h15H,4-14H2,1-3H3
InChIKeyPTMXXHPZOHBKKP-UHFFFAOYSA-N
XLogP4.57
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.42
LogP ≤ 54.57
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-[1-[1-[1-(1-hexoxypropan-2-yloxy)propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]decane
CID 150016958
1-[2-(2-decoxypropoxy)propoxy]decane
CID 19693399
1-(2-propoxypropoxy)pentane
CID 22002926
1-(1-propoxypropan-2-yloxy)pentane
CID 154093458
1-[1-(1-propoxypropan-2-yloxy)propan-2-yloxy]hexane
CID 57074955
2-(1-octoxypropan-2-yloxy)ethanol
CID 59000352
14-(2-tetradec-9-enoxypropoxy)tetradec-5-ene
CID 123583402
1-[1-(1-ethoxypropan-2-yloxy)propan-2-yloxy]hexane
CID 155168253
1-(1-hexoxypropan-2-yloxy)propan-2-ol
CID 22182175
2-methyl-1-(1-octoxypropan-2-yloxy)decane
CID 23399371
1-[1-(1-heptoxypropan-2-yloxy)propan-2-yloxy]propan-2-ol
CID 90302179
1-[2,3-di(octacosoxy)propoxy]octacosane
CID 139785017

Frequently Asked Questions

What is the IUPAC name of 1-(2-hexoxypropoxy)hexane?
The IUPAC name of 1-(2-hexoxypropoxy)hexane (CID 71353992) is 1-(2-hexoxypropoxy)hexane.
What is the SMILES notation for 1-(2-hexoxypropoxy)hexane?
The canonical SMILES for 1-(2-hexoxypropoxy)hexane is CCCCCCOCC(C)OCCCCCC.
What is the InChIKey of 1-(2-hexoxypropoxy)hexane?
The InChIKey is PTMXXHPZOHBKKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32O2/c1-4-6-8-10-12-16-14-15(3)17-13-11-9-7-5-2/h15H,4-14H2,1-3H3.
What are the key properties of 1-(2-hexoxypropoxy)hexane?
1-(2-hexoxypropoxy)hexane has a molecular weight of 244.42 g/mol, XLogP of 4.57, 13 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hexoxypropoxy)hexane is sourced from PubChem (CID 71353992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).