1,2,3,4-tetraethoxy-5-[4-(2,3,4,5-tetraethoxypentoxy)butoxy]pentane

C30H62O10 — CID 129150171

IUPAC1,2,3,4-tetraethoxy-5-[4-(2,3,4,5-tetraethoxypentoxy)butoxy]pentane
SMILESCCOCC(OCC)C(OCC)C(COCCCCOCC(OCC)C(OCC)C(COCC)OCC)OCC
InChIInChI=1S/C30H62O10/c1-9-31-21-25(35-11-3)29(39-15-7)27(37-13-5)23-33-19-17-18-20-34-24-28(38-14-6)30(40-16-8)26(36-12-4)22-32-10-2/h25-30H,9-24H2,1-8H3
InChIKeyDCVMGMNMEPKJDB-UHFFFAOYSA-N
MW582.82 g/mol
LogP4.30
Rot. Bonds31

About 1,2,3,4-tetraethoxy-5-[4-(2,3,4,5-tetraethoxypentoxy)butoxy]pentane

1,2,3,4-tetraethoxy-5-[4-(2,3,4,5-tetraethoxypentoxy)butoxy]pentane (PubChem CID 129150171) has the molecular formula C30H62O10 and a molecular weight of 582.82 g/mol. Its IUPAC name is 1,2,3,4-tetraethoxy-5-[4-(2,3,4,5-tetraethoxypentoxy)butoxy]pentane.

Molecular Properties

Compound Name1,2,3,4-tetraethoxy-5-[4-(2,3,4,5-tetraethoxypentoxy)butoxy]pentane
PubChem CID129150171
Molecular FormulaC30H62O10
Molecular Weight582.82 g/mol
Exact Mass582.43
IUPAC Name1,2,3,4-tetraethoxy-5-[4-(2,3,4,5-tetraethoxypentoxy)butoxy]pentane
SMILESCCOCC(OCC)C(OCC)C(COCCCCOCC(OCC)C(OCC)C(COCC)OCC)OCC
InChIInChI=1S/C30H62O10/c1-9-31-21-25(35-11-3)29(39-15-7)27(37-13-5)23-33-19-17-18-20-34-24-28(38-14-6)30(40-16-8)26(36-12-4)22-32-10-2/h25-30H,9-24H2,1-8H3
InChIKeyDCVMGMNMEPKJDB-UHFFFAOYSA-N
XLogP4.30
TPSA92.30 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds31
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500582.82
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze 1,2,3,4-tetraethoxy-5-[4-(2,3,4,5-tetraethoxypentoxy)butoxy]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

4-[5-butoxy-2,3,4-tris(3-cyanopropoxy)pentoxy]butanenitrile
CID 170037344
(2R,3R,4R,5S)-1,2,3,4,5,6-hexapropoxyhexane
CID 87742557
methane;1,2,3,4-tetrapropoxy-5-(2,3,4,5-tetrapropoxypentoxymethoxy)pentane
CID 158581549
4-[2,3,4,5-tetrakis(3-cyanopropoxy)pentoxy]butanenitrile
CID 170011516
4,5,6-tripentoxyhexane-1,2,3-triol
CID 88729253
1-(1,2-diethoxyethoxy)hexane
CID 173222858
2,3-diethoxy-4-(2-hydroxyethoxy)pentane-1,5-diol
CID 90387499
1-(2,2-diethoxyethoxy)-3-methoxypropane
CID 63629609
(2R)-1,2-diethoxypropane
CID 92973991
1-[2,3-di(tridecoxy)propoxy]tridecane
CID 71331054
1-[2-(3-ethoxy-2-hydroxypropoxy)ethoxy]butan-2-ol
CID 89027633
1-[2,3-di(octacosoxy)propoxy]octacosane
CID 139785017

Frequently Asked Questions

What is the IUPAC name of 1,2,3,4-tetraethoxy-5-[4-(2,3,4,5-tetraethoxypentoxy)butoxy]pentane?
The IUPAC name of 1,2,3,4-tetraethoxy-5-[4-(2,3,4,5-tetraethoxypentoxy)butoxy]pentane (CID 129150171) is 1,2,3,4-tetraethoxy-5-[4-(2,3,4,5-tetraethoxypentoxy)butoxy]pentane.
What is the SMILES notation for 1,2,3,4-tetraethoxy-5-[4-(2,3,4,5-tetraethoxypentoxy)butoxy]pentane?
The canonical SMILES for 1,2,3,4-tetraethoxy-5-[4-(2,3,4,5-tetraethoxypentoxy)butoxy]pentane is CCOCC(OCC)C(OCC)C(COCCCCOCC(OCC)C(OCC)C(COCC)OCC)OCC.
What is the InChIKey of 1,2,3,4-tetraethoxy-5-[4-(2,3,4,5-tetraethoxypentoxy)butoxy]pentane?
The InChIKey is DCVMGMNMEPKJDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H62O10/c1-9-31-21-25(35-11-3)29(39-15-7)27(37-13-5)23-33-19-17-18-20-34-24-28(38-14-6)30(40-16-8)26(36-12-4)22-32-10-2/h25-30H,9-24H2,1-8H3.
What are the key properties of 1,2,3,4-tetraethoxy-5-[4-(2,3,4,5-tetraethoxypentoxy)butoxy]pentane?
1,2,3,4-tetraethoxy-5-[4-(2,3,4,5-tetraethoxypentoxy)butoxy]pentane has a molecular weight of 582.82 g/mol, XLogP of 4.30, 31 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4-tetraethoxy-5-[4-(2,3,4,5-tetraethoxypentoxy)butoxy]pentane is sourced from PubChem (CID 129150171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).