2-iodoethyl octyl carbonate

C11H21IO3 — CID 15009140

IUPAC2-iodoethyl octyl carbonate
SMILESCCCCCCCCOC(=O)OCCI
InChIInChI=1S/C11H21IO3/c1-2-3-4-5-6-7-9-14-11(13)15-10-8-12/h2-10H2,1H3
InChIKeyZLOZBNKVRLZSRN-UHFFFAOYSA-N
MW328.19 g/mol
LogP3.94
Rot. Bonds9

About 2-iodoethyl octyl carbonate

2-iodoethyl octyl carbonate (PubChem CID 15009140) has the molecular formula C11H21IO3 and a molecular weight of 328.19 g/mol. Its IUPAC name is 2-iodoethyl octyl carbonate.

Molecular Properties

Compound Name2-iodoethyl octyl carbonate
PubChem CID15009140
Molecular FormulaC11H21IO3
Molecular Weight328.19 g/mol
Exact Mass328.05
IUPAC Name2-iodoethyl octyl carbonate
SMILESCCCCCCCCOC(=O)OCCI
InChIInChI=1S/C11H21IO3/c1-2-3-4-5-6-7-9-14-11(13)15-10-8-12/h2-10H2,1H3
InChIKeyZLOZBNKVRLZSRN-UHFFFAOYSA-N
XLogP3.94
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.19
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

heptyl octyl carbonate
CID 21498015
dioctyl carbonate
CID 174882674
hexyl undecyl carbonate
CID 87299622
hexadecyl hexyl carbonate
CID 87300395
iodomethyl undecyl carbonate
CID 139557128
heptyl iodomethyl carbonate
CID 23449029
azane;dioctyl carbonate
CID 174626203
5-butoxycarbonyloxypentyl butyl carbonate
CID 91694808
butyl pentyl carbonate
CID 545576
ethyl heptadecyl carbonate
CID 6421524
ethyl tetradecyl carbonate
CID 6421505
2-hydroxyethyl nonyl carbonate
CID 87512716

Frequently Asked Questions

What is the IUPAC name of 2-iodoethyl octyl carbonate?
The IUPAC name of 2-iodoethyl octyl carbonate (CID 15009140) is 2-iodoethyl octyl carbonate.
What is the SMILES notation for 2-iodoethyl octyl carbonate?
The canonical SMILES for 2-iodoethyl octyl carbonate is CCCCCCCCOC(=O)OCCI.
What is the InChIKey of 2-iodoethyl octyl carbonate?
The InChIKey is ZLOZBNKVRLZSRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21IO3/c1-2-3-4-5-6-7-9-14-11(13)15-10-8-12/h2-10H2,1H3.
What are the key properties of 2-iodoethyl octyl carbonate?
2-iodoethyl octyl carbonate has a molecular weight of 328.19 g/mol, XLogP of 3.94, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-iodoethyl octyl carbonate is sourced from PubChem (CID 15009140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).