4-[2-[5-[(2-oxo-1,3-dioxolan-4-yl)methoxy]hexoxy]propyl]-1,3-dioxolan-2-one

C16H26O8 — CID 167194592

IUPAC4-[2-[5-[(2-oxo-1,3-dioxolan-4-yl)methoxy]hexoxy]propyl]-1,3-dioxolan-2-one
SMILESCC(CCCCOC(C)CC1COC(=O)O1)OCC1COC(=O)O1
InChIInChI=1S/C16H26O8/c1-11(20-9-14-10-22-16(18)24-14)5-3-4-6-19-12(2)7-13-8-21-15(17)23-13/h11-14H,3-10H2,1-2H3
InChIKeySUEDCGLNQFAPHM-UHFFFAOYSA-N
MW346.38 g/mol
LogP2.43
Rot. Bonds11

About 4-[2-[5-[(2-oxo-1,3-dioxolan-4-yl)methoxy]hexoxy]propyl]-1,3-dioxolan-2-one

4-[2-[5-[(2-oxo-1,3-dioxolan-4-yl)methoxy]hexoxy]propyl]-1,3-dioxolan-2-one (PubChem CID 167194592) has the molecular formula C16H26O8 and a molecular weight of 346.38 g/mol. Its IUPAC name is 4-[2-[5-[(2-oxo-1,3-dioxolan-4-yl)methoxy]hexoxy]propyl]-1,3-dioxolan-2-one.

Molecular Properties

Compound Name4-[2-[5-[(2-oxo-1,3-dioxolan-4-yl)methoxy]hexoxy]propyl]-1,3-dioxolan-2-one
PubChem CID167194592
Molecular FormulaC16H26O8
Molecular Weight346.38 g/mol
Exact Mass346.16
IUPAC Name4-[2-[5-[(2-oxo-1,3-dioxolan-4-yl)methoxy]hexoxy]propyl]-1,3-dioxolan-2-one
SMILESCC(CCCCOC(C)CC1COC(=O)O1)OCC1COC(=O)O1
InChIInChI=1S/C16H26O8/c1-11(20-9-14-10-22-16(18)24-14)5-3-4-6-19-12(2)7-13-8-21-15(17)23-13/h11-14H,3-10H2,1-2H3
InChIKeySUEDCGLNQFAPHM-UHFFFAOYSA-N
XLogP2.43
TPSA89.52 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.38
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 4-[2-[5-[(2-oxo-1,3-dioxolan-4-yl)methoxy]hexoxy]propyl]-1,3-dioxolan-2-one 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-[(2-oxo-1,3-dioxolan-4-yl)methoxy]ethyloxidanium
CID 142966378
4-[3-(1-hydroxyethoxy)propyl]-1,3-dioxolan-2-one
CID 70218868
2-[7-(oxiran-2-ylmethoxy)octan-2-yloxymethyl]oxirane
CID 101275367
4-(3-methylbutyl)-1,3-dioxolan-2-one
CID 138595323
[2-methoxy-3-[4-[(2-oxo-1,3-dioxolan-4-yl)methoxy]butoxy]propyl] formate
CID 163276160
4-(oxiran-2-ylmethoxymethyl)-1,3-dioxolan-2-one
CID 13170397
4-[(2,2-difluoro-3-methylbutoxy)methyl]-1,3-dioxolan-2-one
CID 122450409
(4S)-4-[3-[hydroxy(methyl)amino]propoxymethyl]-1,3-dioxolan-2-one
CID 163561102
4-[3-[dichloro(methyl)silyl]propoxymethyl]-1,3-dioxolan-2-one
CID 102323538
bis[(2-oxo-1,3-dioxolan-4-yl)methyl] pentanedioate
CID 59449201
(2-oxo-1,3-dioxolan-4-yl)methyl 3-oxobutanoate
CID 157036865
(2-oxo-1,3-dioxolan-4-yl)methyl 2-methoxyacetate
CID 14765868

Frequently Asked Questions

What is the IUPAC name of 4-[2-[5-[(2-oxo-1,3-dioxolan-4-yl)methoxy]hexoxy]propyl]-1,3-dioxolan-2-one?
The IUPAC name of 4-[2-[5-[(2-oxo-1,3-dioxolan-4-yl)methoxy]hexoxy]propyl]-1,3-dioxolan-2-one (CID 167194592) is 4-[2-[5-[(2-oxo-1,3-dioxolan-4-yl)methoxy]hexoxy]propyl]-1,3-dioxolan-2-one.
What is the SMILES notation for 4-[2-[5-[(2-oxo-1,3-dioxolan-4-yl)methoxy]hexoxy]propyl]-1,3-dioxolan-2-one?
The canonical SMILES for 4-[2-[5-[(2-oxo-1,3-dioxolan-4-yl)methoxy]hexoxy]propyl]-1,3-dioxolan-2-one is CC(CCCCOC(C)CC1COC(=O)O1)OCC1COC(=O)O1.
What is the InChIKey of 4-[2-[5-[(2-oxo-1,3-dioxolan-4-yl)methoxy]hexoxy]propyl]-1,3-dioxolan-2-one?
The InChIKey is SUEDCGLNQFAPHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26O8/c1-11(20-9-14-10-22-16(18)24-14)5-3-4-6-19-12(2)7-13-8-21-15(17)23-13/h11-14H,3-10H2,1-2H3.
What are the key properties of 4-[2-[5-[(2-oxo-1,3-dioxolan-4-yl)methoxy]hexoxy]propyl]-1,3-dioxolan-2-one?
4-[2-[5-[(2-oxo-1,3-dioxolan-4-yl)methoxy]hexoxy]propyl]-1,3-dioxolan-2-one has a molecular weight of 346.38 g/mol, XLogP of 2.43, 11 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[5-[(2-oxo-1,3-dioxolan-4-yl)methoxy]hexoxy]propyl]-1,3-dioxolan-2-one is sourced from PubChem (CID 167194592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).