1-(2-propan-2-yloxypropoxy)octadecane

C24H50O2 — CID 144869865

IUPAC1-(2-propan-2-yloxypropoxy)octadecane
SMILESCCCCCCCCCCCCCCCCCCOCC(C)OC(C)C
InChIInChI=1S/C24H50O2/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-25-22-24(4)26-23(2)3/h23-24H,5-22H2,1-4H3
InChIKeyBYBHPPYLONIAHH-UHFFFAOYSA-N
MW370.66 g/mol
LogP8.08
Rot. Bonds21

About 1-(2-propan-2-yloxypropoxy)octadecane

1-(2-propan-2-yloxypropoxy)octadecane (PubChem CID 144869865) has the molecular formula C24H50O2 and a molecular weight of 370.66 g/mol. Its IUPAC name is 1-(2-propan-2-yloxypropoxy)octadecane.

Molecular Properties

Compound Name1-(2-propan-2-yloxypropoxy)octadecane
PubChem CID144869865
Molecular FormulaC24H50O2
Molecular Weight370.66 g/mol
Exact Mass370.38
IUPAC Name1-(2-propan-2-yloxypropoxy)octadecane
SMILESCCCCCCCCCCCCCCCCCCOCC(C)OC(C)C
InChIInChI=1S/C24H50O2/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-25-22-24(4)26-23(2)3/h23-24H,5-22H2,1-4H3
InChIKeyBYBHPPYLONIAHH-UHFFFAOYSA-N
XLogP8.08
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds21
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.66
LogP ≤ 58.08
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-hexoxypropoxy)hexane
CID 71353992
1-(2-methylpropoxy)tridecane
CID 91526471
1-(2-methylpropoxy)undecane
CID 58527571
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-(2-ethoxyethoxy)-2-propan-2-yloxypropane
CID 174484893
2-(1-octoxypropan-2-yloxy)ethanol
CID 59000352
1-(1-hexoxypropan-2-yloxy)propan-2-ol
CID 22182175
2-methyl-1-(1-octoxypropan-2-yloxy)decane
CID 23399371
1-tridecoxypropan-2-ol
CID 19798268
(2S)-1-octoxypropan-2-ol
CID 55250295

Frequently Asked Questions

What is the IUPAC name of 1-(2-propan-2-yloxypropoxy)octadecane?
The IUPAC name of 1-(2-propan-2-yloxypropoxy)octadecane (CID 144869865) is 1-(2-propan-2-yloxypropoxy)octadecane.
What is the SMILES notation for 1-(2-propan-2-yloxypropoxy)octadecane?
The canonical SMILES for 1-(2-propan-2-yloxypropoxy)octadecane is CCCCCCCCCCCCCCCCCCOCC(C)OC(C)C.
What is the InChIKey of 1-(2-propan-2-yloxypropoxy)octadecane?
The InChIKey is BYBHPPYLONIAHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H50O2/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-25-22-24(4)26-23(2)3/h23-24H,5-22H2,1-4H3.
What are the key properties of 1-(2-propan-2-yloxypropoxy)octadecane?
1-(2-propan-2-yloxypropoxy)octadecane has a molecular weight of 370.66 g/mol, XLogP of 8.08, 21 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-propan-2-yloxypropoxy)octadecane is sourced from PubChem (CID 144869865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).