6-(6-hydroxyhexoxycarbonyloxy)hexyl 6-hydroxyhexyl carbonate

C20H38O8 — CID 21031358

IUPAC6-(6-hydroxyhexoxycarbonyloxy)hexyl 6-hydroxyhexyl carbonate
SMILESO=C(OCCCCCCO)OCCCCCCOC(=O)OCCCCCCO
InChIInChI=1S/C20H38O8/c21-13-7-1-3-9-15-25-19(23)27-17-11-5-6-12-18-28-20(24)26-16-10-4-2-8-14-22/h21-22H,1-18H2
InChIKeyDQVFXFHKOXDFPH-UHFFFAOYSA-N
MW406.52 g/mol
LogP3.96
Rot. Bonds19

About 6-(6-hydroxyhexoxycarbonyloxy)hexyl 6-hydroxyhexyl carbonate

6-(6-hydroxyhexoxycarbonyloxy)hexyl 6-hydroxyhexyl carbonate (PubChem CID 21031358) has the molecular formula C20H38O8 and a molecular weight of 406.52 g/mol. Its IUPAC name is 6-(6-hydroxyhexoxycarbonyloxy)hexyl 6-hydroxyhexyl carbonate.

Molecular Properties

Compound Name6-(6-hydroxyhexoxycarbonyloxy)hexyl 6-hydroxyhexyl carbonate
PubChem CID21031358
Molecular FormulaC20H38O8
Molecular Weight406.52 g/mol
Exact Mass406.26
IUPAC Name6-(6-hydroxyhexoxycarbonyloxy)hexyl 6-hydroxyhexyl carbonate
SMILESO=C(OCCCCCCO)OCCCCCCOC(=O)OCCCCCCO
InChIInChI=1S/C20H38O8/c21-13-7-1-3-9-15-25-19(23)27-17-11-5-6-12-18-28-20(24)26-16-10-4-2-8-14-22/h21-22H,1-18H2
InChIKeyDQVFXFHKOXDFPH-UHFFFAOYSA-N
XLogP3.96
TPSA111.52 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds19
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.52
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 6-(6-hydroxyhexoxycarbonyloxy)hexyl 6-hydroxyhexyl carbonate 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

bis(5-hydroxypentyl) carbonate
CID 54559104
6-carboxyoxyhexyl 6-hydroxyhexyl carbonate
CID 171600611
6-(2-hydroxyethoxycarbonyloxy)hexyl 2-hydroxyethyl carbonate;bis(yttrium)
CID 140635711
[4-(6-hydroxyhexoxycarbonyloxymethyl)cyclohexyl]methyl 6-hydroxyhexyl carbonate
CID 21031357
6-[4-hydroxybutyl(6-undecoxycarbonyloxyhexyl)amino]hexyl undecyl carbonate
CID 167299130
2-hydroxyethyl nonyl carbonate
CID 87512716
hexyl 2-hydroxyethyl carbonate
CID 57493507
dipropyl carbonate;dodecan-1-ol
CID 174718706
bis(6-aminohexyl) carbonate
CID 87932900
5-[3-[bis(5-decoxycarbonyloxypentyl)amino]propyl-(6-hydroxyhexyl)amino]pentyl decyl carbonate
CID 168999434
bis(6-hydroxyhexyl) carbonate;2,2-bis(hydroxymethyl)butanoic acid
CID 159702607
bis(4-hydroxybutyl) octanedioate
CID 58519863

Frequently Asked Questions

What is the IUPAC name of 6-(6-hydroxyhexoxycarbonyloxy)hexyl 6-hydroxyhexyl carbonate?
The IUPAC name of 6-(6-hydroxyhexoxycarbonyloxy)hexyl 6-hydroxyhexyl carbonate (CID 21031358) is 6-(6-hydroxyhexoxycarbonyloxy)hexyl 6-hydroxyhexyl carbonate.
What is the SMILES notation for 6-(6-hydroxyhexoxycarbonyloxy)hexyl 6-hydroxyhexyl carbonate?
The canonical SMILES for 6-(6-hydroxyhexoxycarbonyloxy)hexyl 6-hydroxyhexyl carbonate is O=C(OCCCCCCO)OCCCCCCOC(=O)OCCCCCCO.
What is the InChIKey of 6-(6-hydroxyhexoxycarbonyloxy)hexyl 6-hydroxyhexyl carbonate?
The InChIKey is DQVFXFHKOXDFPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H38O8/c21-13-7-1-3-9-15-25-19(23)27-17-11-5-6-12-18-28-20(24)26-16-10-4-2-8-14-22/h21-22H,1-18H2.
What are the key properties of 6-(6-hydroxyhexoxycarbonyloxy)hexyl 6-hydroxyhexyl carbonate?
6-(6-hydroxyhexoxycarbonyloxy)hexyl 6-hydroxyhexyl carbonate has a molecular weight of 406.52 g/mol, XLogP of 3.96, 19 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(6-hydroxyhexoxycarbonyloxy)hexyl 6-hydroxyhexyl carbonate is sourced from PubChem (CID 21031358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).