1-[3-[3-(1,5-dipropoxypentoxy)propoxymethoxymethoxy]propoxy]-1,5-dipropoxypentane

C30H62O9 — CID 175177315

IUPAC1-[3-[3-(1,5-dipropoxypentoxy)propoxymethoxymethoxy]propoxy]-1,5-dipropoxypentane
SMILESCCCOCCCCC(OCCC)OCCCOCOCOCCCOC(CCCCOCCC)OCCC
InChIInChI=1S/C30H62O9/c1-5-17-31-21-11-9-15-29(36-19-7-3)38-25-13-23-33-27-35-28-34-24-14-26-39-30(37-20-8-4)16-10-12-22-32-18-6-2/h29-30H,5-28H2,1-4H3
InChIKeyAYQUZRPVPRGBMK-UHFFFAOYSA-N
MW566.82 g/mol
LogP6.46
Rot. Bonds34

About 1-[3-[3-(1,5-dipropoxypentoxy)propoxymethoxymethoxy]propoxy]-1,5-dipropoxypentane

1-[3-[3-(1,5-dipropoxypentoxy)propoxymethoxymethoxy]propoxy]-1,5-dipropoxypentane (PubChem CID 175177315) has the molecular formula C30H62O9 and a molecular weight of 566.82 g/mol. Its IUPAC name is 1-[3-[3-(1,5-dipropoxypentoxy)propoxymethoxymethoxy]propoxy]-1,5-dipropoxypentane.

Molecular Properties

Compound Name1-[3-[3-(1,5-dipropoxypentoxy)propoxymethoxymethoxy]propoxy]-1,5-dipropoxypentane
PubChem CID175177315
Molecular FormulaC30H62O9
Molecular Weight566.82 g/mol
Exact Mass566.44
IUPAC Name1-[3-[3-(1,5-dipropoxypentoxy)propoxymethoxymethoxy]propoxy]-1,5-dipropoxypentane
SMILESCCCOCCCCC(OCCC)OCCCOCOCOCCCOC(CCCCOCCC)OCCC
InChIInChI=1S/C30H62O9/c1-5-17-31-21-11-9-15-29(36-19-7-3)38-25-13-23-33-27-35-28-34-24-14-26-39-30(37-20-8-4)16-10-12-22-32-18-6-2/h29-30H,5-28H2,1-4H3
InChIKeyAYQUZRPVPRGBMK-UHFFFAOYSA-N
XLogP6.46
TPSA83.07 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds34
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500566.82
LogP ≤ 56.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1,5-dibutoxy-1-[5-[5-(1,5-dibutoxypentoxy)pentoxy]pentoxy]pentane
CID 175168734
1-(15,15-dioctoxy-1-propoxypentadecoxy)-15,15-dioctoxy-1-propoxypentadecane
CID 175225222
7,7-dipropoxy-1-(propoxymethoxy)hept-1-ene
CID 162392591
1,3-bis(propoxymethoxy)propane;methane
CID 164971527
14,14-dipentoxy-1-(propoxymethoxy)tetradec-1-ene
CID 163205523
1-(7,7-dioctoxyheptoxy)-9-methylperoxynonane
CID 175225379
1-propoxy-3-(3-propoxypropoxy)propane
CID 90943526
12,12-dihexoxy-1-(nonoxymethoxy)dodec-1-ene
CID 163205535
1-(decoxymethoxy)-14,14-diheptoxytetradec-1-ene
CID 163206012
12,12-diheptoxy-1-(hexoxymethoxy)dodec-1-ene
CID 163205820
1,1-dibutoxyoctane
CID 54557001
14,14-dibutoxy-1-(butoxymethoxy)tetradec-1-ene
CID 163205475

Frequently Asked Questions

What is the IUPAC name of 1-[3-[3-(1,5-dipropoxypentoxy)propoxymethoxymethoxy]propoxy]-1,5-dipropoxypentane?
The IUPAC name of 1-[3-[3-(1,5-dipropoxypentoxy)propoxymethoxymethoxy]propoxy]-1,5-dipropoxypentane (CID 175177315) is 1-[3-[3-(1,5-dipropoxypentoxy)propoxymethoxymethoxy]propoxy]-1,5-dipropoxypentane.
What is the SMILES notation for 1-[3-[3-(1,5-dipropoxypentoxy)propoxymethoxymethoxy]propoxy]-1,5-dipropoxypentane?
The canonical SMILES for 1-[3-[3-(1,5-dipropoxypentoxy)propoxymethoxymethoxy]propoxy]-1,5-dipropoxypentane is CCCOCCCCC(OCCC)OCCCOCOCOCCCOC(CCCCOCCC)OCCC.
What is the InChIKey of 1-[3-[3-(1,5-dipropoxypentoxy)propoxymethoxymethoxy]propoxy]-1,5-dipropoxypentane?
The InChIKey is AYQUZRPVPRGBMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H62O9/c1-5-17-31-21-11-9-15-29(36-19-7-3)38-25-13-23-33-27-35-28-34-24-14-26-39-30(37-20-8-4)16-10-12-22-32-18-6-2/h29-30H,5-28H2,1-4H3.
What are the key properties of 1-[3-[3-(1,5-dipropoxypentoxy)propoxymethoxymethoxy]propoxy]-1,5-dipropoxypentane?
1-[3-[3-(1,5-dipropoxypentoxy)propoxymethoxymethoxy]propoxy]-1,5-dipropoxypentane has a molecular weight of 566.82 g/mol, XLogP of 6.46, 34 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[3-(1,5-dipropoxypentoxy)propoxymethoxymethoxy]propoxy]-1,5-dipropoxypentane is sourced from PubChem (CID 175177315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).