2-O-cycloheptyl 1-O-cyclooctyl oxalate

C17H28O4 — CID 57251206

IUPAC2-O-cycloheptyl 1-O-cyclooctyl oxalate
SMILESO=C(OC1CCCCCCC1)C(=O)OC1CCCCCC1
InChIInChI=1S/C17H28O4/c18-16(20-14-10-6-2-1-3-7-11-14)17(19)21-15-12-8-4-5-9-13-15/h14-15H,1-13H2
InChIKeySACRDWWYEBSYFQ-UHFFFAOYSA-N
MW296.41 g/mol
LogP3.91
Rot. Bonds2

About 2-O-cycloheptyl 1-O-cyclooctyl oxalate

2-O-cycloheptyl 1-O-cyclooctyl oxalate (PubChem CID 57251206) has the molecular formula C17H28O4 and a molecular weight of 296.41 g/mol. Its IUPAC name is 2-O-cycloheptyl 1-O-cyclooctyl oxalate.

Molecular Properties

Compound Name2-O-cycloheptyl 1-O-cyclooctyl oxalate
PubChem CID57251206
Molecular FormulaC17H28O4
Molecular Weight296.41 g/mol
Exact Mass296.20
IUPAC Name2-O-cycloheptyl 1-O-cyclooctyl oxalate
SMILESO=C(OC1CCCCCCC1)C(=O)OC1CCCCCC1
InChIInChI=1S/C17H28O4/c18-16(20-14-10-6-2-1-3-7-11-14)17(19)21-15-12-8-4-5-9-13-15/h14-15H,1-13H2
InChIKeySACRDWWYEBSYFQ-UHFFFAOYSA-N
XLogP3.91
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-O-carbamoyl 1-O-cyclohexyl oxalate
CID 174410162
dicyclononyl carbonate
CID 139618210
cyclohexyl 2-methylprop-2-enoate;2-methylprop-1-ene
CID 174922373
cycloheptyl hydrogen carbonate
CID 23179405
cyclohexyl 2-hydroxybut-2-enoate
CID 141455466
cyclododecyl 2-methylprop-2-enoate;methane
CID 174824208
cyclohexyl 2-methylprop-2-enoate;methanol
CID 67315224
cycloheptadecyl acetate
CID 57215828
azane;cyclohexyl hydrogen carbonate
CID 67723937
cyclohexyloxycarbonyl-λ2-stannane
CID 174853148
cyclodecyl cyclodecyloxycarbonyloxy carbonate
CID 139793916
carbonic acid;cyclohexyl 2-methylprop-2-enoate
CID 89120265

Frequently Asked Questions

What is the IUPAC name of 2-O-cycloheptyl 1-O-cyclooctyl oxalate?
The IUPAC name of 2-O-cycloheptyl 1-O-cyclooctyl oxalate (CID 57251206) is 2-O-cycloheptyl 1-O-cyclooctyl oxalate.
What is the SMILES notation for 2-O-cycloheptyl 1-O-cyclooctyl oxalate?
The canonical SMILES for 2-O-cycloheptyl 1-O-cyclooctyl oxalate is O=C(OC1CCCCCCC1)C(=O)OC1CCCCCC1.
What is the InChIKey of 2-O-cycloheptyl 1-O-cyclooctyl oxalate?
The InChIKey is SACRDWWYEBSYFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28O4/c18-16(20-14-10-6-2-1-3-7-11-14)17(19)21-15-12-8-4-5-9-13-15/h14-15H,1-13H2.
What are the key properties of 2-O-cycloheptyl 1-O-cyclooctyl oxalate?
2-O-cycloheptyl 1-O-cyclooctyl oxalate has a molecular weight of 296.41 g/mol, XLogP of 3.91, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-O-cycloheptyl 1-O-cyclooctyl oxalate is sourced from PubChem (CID 57251206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).