1,5-dibutoxy-1-[5-[5-(1,5-dibutoxypentoxy)pentoxy]pentoxy]pentane

C36H74O7 — CID 175168734

IUPAC1,5-dibutoxy-1-[5-[5-(1,5-dibutoxypentoxy)pentoxy]pentoxy]pentane
SMILESCCCCOCCCCC(OCCCC)OCCCCCOCCCCCOC(CCCCOCCCC)OCCCC
InChIInChI=1S/C36H74O7/c1-5-9-25-37-29-21-15-23-35(40-31-11-7-3)42-33-19-13-17-27-39-28-18-14-20-34-43-36(41-32-12-8-4)24-16-22-30-38-26-10-6-2/h35-36H,5-34H2,1-4H3
InChIKeyIJWPSFQPQMZRHR-UHFFFAOYSA-N
MW618.98 g/mol
LogP9.64
Rot. Bonds38

About 1,5-dibutoxy-1-[5-[5-(1,5-dibutoxypentoxy)pentoxy]pentoxy]pentane

1,5-dibutoxy-1-[5-[5-(1,5-dibutoxypentoxy)pentoxy]pentoxy]pentane (PubChem CID 175168734) has the molecular formula C36H74O7 and a molecular weight of 618.98 g/mol. Its IUPAC name is 1,5-dibutoxy-1-[5-[5-(1,5-dibutoxypentoxy)pentoxy]pentoxy]pentane.

Molecular Properties

Compound Name1,5-dibutoxy-1-[5-[5-(1,5-dibutoxypentoxy)pentoxy]pentoxy]pentane
PubChem CID175168734
Molecular FormulaC36H74O7
Molecular Weight618.98 g/mol
Exact Mass618.54
IUPAC Name1,5-dibutoxy-1-[5-[5-(1,5-dibutoxypentoxy)pentoxy]pentoxy]pentane
SMILESCCCCOCCCCC(OCCCC)OCCCCCOCCCCCOC(CCCCOCCCC)OCCCC
InChIInChI=1S/C36H74O7/c1-5-9-25-37-29-21-15-23-35(40-31-11-7-3)42-33-19-13-17-27-39-28-18-14-20-34-43-36(41-32-12-8-4)24-16-22-30-38-26-10-6-2/h35-36H,5-34H2,1-4H3
InChIKeyIJWPSFQPQMZRHR-UHFFFAOYSA-N
XLogP9.64
TPSA64.61 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds38
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500618.98
LogP ≤ 59.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 1,5-dibutoxy-1-[5-[5-(1,5-dibutoxypentoxy)pentoxy]pentoxy]pentane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,1-dibutoxyoctane
CID 54557001
1-(7,7-dioctoxyheptoxy)-9-methylperoxynonane
CID 175225379
1,1,4,4-tetrabutoxybutane
CID 139887225
6-methyl-1,1-dioctoxyheptane
CID 171428766
1-(6-chloro-1-heptoxyhexoxy)heptane
CID 165175032
1-(15,15-dioctoxy-1-propoxypentadecoxy)-15,15-dioctoxy-1-propoxypentadecane
CID 175225222
10-bromo-1,1-di(nonoxy)decane
CID 146509943
1-(7-bromo-1-octoxyheptoxy)octane
CID 146464261
1-[3-[3-(1,5-dipropoxypentoxy)propoxymethoxymethoxy]propoxy]-1,5-dipropoxypentane
CID 175177315
15-[19,19-di(nonoxy)nonadecan-5-yloxy]-1,1-di(nonoxy)nonadecane
CID 175226226
1-(4-propan-2-yloxybutoxy)tetradecane
CID 167327232
4,4-di(tetradecoxy)butan-1-amine
CID 87630255

Frequently Asked Questions

What is the IUPAC name of 1,5-dibutoxy-1-[5-[5-(1,5-dibutoxypentoxy)pentoxy]pentoxy]pentane?
The IUPAC name of 1,5-dibutoxy-1-[5-[5-(1,5-dibutoxypentoxy)pentoxy]pentoxy]pentane (CID 175168734) is 1,5-dibutoxy-1-[5-[5-(1,5-dibutoxypentoxy)pentoxy]pentoxy]pentane.
What is the SMILES notation for 1,5-dibutoxy-1-[5-[5-(1,5-dibutoxypentoxy)pentoxy]pentoxy]pentane?
The canonical SMILES for 1,5-dibutoxy-1-[5-[5-(1,5-dibutoxypentoxy)pentoxy]pentoxy]pentane is CCCCOCCCCC(OCCCC)OCCCCCOCCCCCOC(CCCCOCCCC)OCCCC.
What is the InChIKey of 1,5-dibutoxy-1-[5-[5-(1,5-dibutoxypentoxy)pentoxy]pentoxy]pentane?
The InChIKey is IJWPSFQPQMZRHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H74O7/c1-5-9-25-37-29-21-15-23-35(40-31-11-7-3)42-33-19-13-17-27-39-28-18-14-20-34-43-36(41-32-12-8-4)24-16-22-30-38-26-10-6-2/h35-36H,5-34H2,1-4H3.
What are the key properties of 1,5-dibutoxy-1-[5-[5-(1,5-dibutoxypentoxy)pentoxy]pentoxy]pentane?
1,5-dibutoxy-1-[5-[5-(1,5-dibutoxypentoxy)pentoxy]pentoxy]pentane has a molecular weight of 618.98 g/mol, XLogP of 9.64, 38 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dibutoxy-1-[5-[5-(1,5-dibutoxypentoxy)pentoxy]pentoxy]pentane is sourced from PubChem (CID 175168734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).