bis(5-hydroxypentyl) carbonate

C11H22O5 — CID 54559104

IUPACbis(5-hydroxypentyl) carbonate
SMILESO=C(OCCCCCO)OCCCCCO
InChIInChI=1S/C11H22O5/c12-7-3-1-5-9-15-11(14)16-10-6-2-4-8-13/h12-13H,1-10H2
InChIKeyZPGRXSBRZKFNHY-UHFFFAOYSA-N
MW234.29 g/mol
LogP1.46
Rot. Bonds10

About bis(5-hydroxypentyl) carbonate

bis(5-hydroxypentyl) carbonate (PubChem CID 54559104) has the molecular formula C11H22O5 and a molecular weight of 234.29 g/mol. Its IUPAC name is bis(5-hydroxypentyl) carbonate.

Molecular Properties

Compound Namebis(5-hydroxypentyl) carbonate
PubChem CID54559104
Molecular FormulaC11H22O5
Molecular Weight234.29 g/mol
Exact Mass234.15
IUPAC Namebis(5-hydroxypentyl) carbonate
SMILESO=C(OCCCCCO)OCCCCCO
InChIInChI=1S/C11H22O5/c12-7-3-1-5-9-15-11(14)16-10-6-2-4-8-13/h12-13H,1-10H2
InChIKeyZPGRXSBRZKFNHY-UHFFFAOYSA-N
XLogP1.46
TPSA75.99 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.29
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

6-(6-hydroxyhexoxycarbonyloxy)hexyl 6-hydroxyhexyl carbonate
CID 21031358
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 bis(5-hydroxypentyl) carbonate?
The IUPAC name of bis(5-hydroxypentyl) carbonate (CID 54559104) is bis(5-hydroxypentyl) carbonate.
What is the SMILES notation for bis(5-hydroxypentyl) carbonate?
The canonical SMILES for bis(5-hydroxypentyl) carbonate is O=C(OCCCCCO)OCCCCCO.
What is the InChIKey of bis(5-hydroxypentyl) carbonate?
The InChIKey is ZPGRXSBRZKFNHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O5/c12-7-3-1-5-9-15-11(14)16-10-6-2-4-8-13/h12-13H,1-10H2.
What are the key properties of bis(5-hydroxypentyl) carbonate?
bis(5-hydroxypentyl) carbonate has a molecular weight of 234.29 g/mol, XLogP of 1.46, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for bis(5-hydroxypentyl) carbonate is sourced from PubChem (CID 54559104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).