2-(1,3-dioctoxypropan-2-yloxy)ethanol

C21H44O4 — CID 132520295

IUPAC2-(1,3-dioctoxypropan-2-yloxy)ethanol
SMILESCCCCCCCCOCC(COCCCCCCCC)OCCO
InChIInChI=1S/C21H44O4/c1-3-5-7-9-11-13-16-23-19-21(25-18-15-22)20-24-17-14-12-10-8-6-4-2/h21-22H,3-20H2,1-2H3
InChIKeyCXGAXBVPPMUKFB-UHFFFAOYSA-N
MW360.58 g/mol
LogP5.12
Rot. Bonds21

About 2-(1,3-dioctoxypropan-2-yloxy)ethanol

2-(1,3-dioctoxypropan-2-yloxy)ethanol (PubChem CID 132520295) has the molecular formula C21H44O4 and a molecular weight of 360.58 g/mol. Its IUPAC name is 2-(1,3-dioctoxypropan-2-yloxy)ethanol.

Molecular Properties

Compound Name2-(1,3-dioctoxypropan-2-yloxy)ethanol
PubChem CID132520295
Molecular FormulaC21H44O4
Molecular Weight360.58 g/mol
Exact Mass360.32
IUPAC Name2-(1,3-dioctoxypropan-2-yloxy)ethanol
SMILESCCCCCCCCOCC(COCCCCCCCC)OCCO
InChIInChI=1S/C21H44O4/c1-3-5-7-9-11-13-16-23-19-21(25-18-15-22)20-24-17-14-12-10-8-6-4-2/h21-22H,3-20H2,1-2H3
InChIKeyCXGAXBVPPMUKFB-UHFFFAOYSA-N
XLogP5.12
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds21
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.58
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[2,3-di(tridecoxy)propoxy]tridecane
CID 71331054
1-[2,3-di(octacosoxy)propoxy]octacosane
CID 139785017
2-(1-octoxypropan-2-yloxy)ethanol
CID 59000352
2-[2-(2-hydroxyethoxy)decoxy]ethanol
CID 12555020
3-hexadecoxy-2-tetradecoxypropan-1-ol
CID 57128111
(2S)-2-decoxy-3-[20-[(2S)-2-decoxy-3-hydroxypropoxy]icosoxy]propan-1-ol
CID 100932836
(2R)-3-hexadecoxy-2-octoxypropan-1-ol
CID 87800892
3-hexadecoxy-2-octadecoxypropan-1-ol;phosphane
CID 174930808
2,3-dihexadecoxypropan-1-ol;phosphane
CID 174353548
2-[2-[2,3-bis[(Z)-octadec-9-enoxy]propoxy]ethoxy]ethanol
CID 175432010
1-hexadecoxy-3-(2-hydroxyethoxy)propan-2-ol
CID 165348602
2-docosan-10-yloxyethanol
CID 173141834

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dioctoxypropan-2-yloxy)ethanol?
The IUPAC name of 2-(1,3-dioctoxypropan-2-yloxy)ethanol (CID 132520295) is 2-(1,3-dioctoxypropan-2-yloxy)ethanol.
What is the SMILES notation for 2-(1,3-dioctoxypropan-2-yloxy)ethanol?
The canonical SMILES for 2-(1,3-dioctoxypropan-2-yloxy)ethanol is CCCCCCCCOCC(COCCCCCCCC)OCCO.
What is the InChIKey of 2-(1,3-dioctoxypropan-2-yloxy)ethanol?
The InChIKey is CXGAXBVPPMUKFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H44O4/c1-3-5-7-9-11-13-16-23-19-21(25-18-15-22)20-24-17-14-12-10-8-6-4-2/h21-22H,3-20H2,1-2H3.
What are the key properties of 2-(1,3-dioctoxypropan-2-yloxy)ethanol?
2-(1,3-dioctoxypropan-2-yloxy)ethanol has a molecular weight of 360.58 g/mol, XLogP of 5.12, 21 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-dioctoxypropan-2-yloxy)ethanol is sourced from PubChem (CID 132520295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).