2-hydroxyethyl nonyl carbonate

C12H24O4 — CID 87512716

IUPAC2-hydroxyethyl nonyl carbonate
SMILESCCCCCCCCCOC(=O)OCCO
InChIInChI=1S/C12H24O4/c1-2-3-4-5-6-7-8-10-15-12(14)16-11-9-13/h13H,2-11H2,1H3
InChIKeyABBBCOOKSXRPBD-UHFFFAOYSA-N
MW232.32 g/mol
LogP2.88
Rot. Bonds10

About 2-hydroxyethyl nonyl carbonate

2-hydroxyethyl nonyl carbonate (PubChem CID 87512716) has the molecular formula C12H24O4 and a molecular weight of 232.32 g/mol. Its IUPAC name is 2-hydroxyethyl nonyl carbonate.

Molecular Properties

Compound Name2-hydroxyethyl nonyl carbonate
PubChem CID87512716
Molecular FormulaC12H24O4
Molecular Weight232.32 g/mol
Exact Mass232.17
IUPAC Name2-hydroxyethyl nonyl carbonate
SMILESCCCCCCCCCOC(=O)OCCO
InChIInChI=1S/C12H24O4/c1-2-3-4-5-6-7-8-10-15-12(14)16-11-9-13/h13H,2-11H2,1H3
InChIKeyABBBCOOKSXRPBD-UHFFFAOYSA-N
XLogP2.88
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.32
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

hexyl 2-hydroxyethyl carbonate
CID 57493507
heptyl octyl carbonate
CID 21498015
dioctyl carbonate
CID 174882674
hexyl undecyl carbonate
CID 87299622
hexadecyl hexyl carbonate
CID 87300395
azane;dioctyl carbonate
CID 174626203
5-butoxycarbonyloxypentyl butyl carbonate
CID 91694808
6-(2-hydroxyethoxycarbonyloxy)hexyl 2-hydroxyethyl carbonate;bis(yttrium)
CID 140635711
butyl pentyl carbonate
CID 545576
ethyl heptadecyl carbonate
CID 6421524
ethyl tetradecyl carbonate
CID 6421505
1-O-(2-hydroxyethyl) 3-O-octadecyl 2-methylpropanedioate
CID 153438598

Frequently Asked Questions

What is the IUPAC name of 2-hydroxyethyl nonyl carbonate?
The IUPAC name of 2-hydroxyethyl nonyl carbonate (CID 87512716) is 2-hydroxyethyl nonyl carbonate.
What is the SMILES notation for 2-hydroxyethyl nonyl carbonate?
The canonical SMILES for 2-hydroxyethyl nonyl carbonate is CCCCCCCCCOC(=O)OCCO.
What is the InChIKey of 2-hydroxyethyl nonyl carbonate?
The InChIKey is ABBBCOOKSXRPBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O4/c1-2-3-4-5-6-7-8-10-15-12(14)16-11-9-13/h13H,2-11H2,1H3.
What are the key properties of 2-hydroxyethyl nonyl carbonate?
2-hydroxyethyl nonyl carbonate has a molecular weight of 232.32 g/mol, XLogP of 2.88, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxyethyl nonyl carbonate is sourced from PubChem (CID 87512716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).