2-O-cyclohexyl 1-O-hexyl oxalate

C14H24O4 — CID 6421307

IUPAC2-O-cyclohexyl 1-O-hexyl oxalate
SMILESCCCCCCOC(=O)C(=O)OC1CCCCC1
InChIInChI=1S/C14H24O4/c1-2-3-4-8-11-17-13(15)14(16)18-12-9-6-5-7-10-12/h12H,2-11H2,1H3
InChIKeyFFMBDUOMKUGXCF-UHFFFAOYSA-N
MW256.34 g/mol
LogP2.99
Rot. Bonds6

About 2-O-cyclohexyl 1-O-hexyl oxalate

2-O-cyclohexyl 1-O-hexyl oxalate (PubChem CID 6421307) has the molecular formula C14H24O4 and a molecular weight of 256.34 g/mol. Its IUPAC name is 2-O-cyclohexyl 1-O-hexyl oxalate.

Molecular Properties

Compound Name2-O-cyclohexyl 1-O-hexyl oxalate
PubChem CID6421307
Molecular FormulaC14H24O4
Molecular Weight256.34 g/mol
Exact Mass256.17
IUPAC Name2-O-cyclohexyl 1-O-hexyl oxalate
SMILESCCCCCCOC(=O)C(=O)OC1CCCCC1
InChIInChI=1S/C14H24O4/c1-2-3-4-8-11-17-13(15)14(16)18-12-9-6-5-7-10-12/h12H,2-11H2,1H3
InChIKeyFFMBDUOMKUGXCF-UHFFFAOYSA-N
XLogP2.99
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.34
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-O-cyclobutyl 1-O-tridecyl oxalate
CID 6420623
4-O-cycloheptyl 1-O-octadecyl butanedioate
CID 91710592
ditridecyl oxalate
CID 18377796
cyclohexyl 2,3-dihydroxypropanoate;hexyl 2,3-dihydroxypropanoate
CID 166679999
1-O-cyclohexyl 3-O-decyl cyclohexane-1,3-dicarboxylate
CID 66984479
cyclohexyl 2-methylprop-2-enoate;cyclohexyl prop-2-enoate;hexyl prop-2-enoate
CID 118666735
cyclohexyl 2-ethylidenedodecanoate
CID 174585832
2-O-cycloheptyl 1-O-cyclooctyl oxalate
CID 57251206
hexyl 2-(cyclopentylamino)-2-oxoacetate
CID 6421015
2-O-cyclohexyl 1-O-undecyl benzene-1,2-dicarboxylate
CID 174739456
nonyl cyclopentanecarboxylate
CID 575427
2-O-dodecyl 1-O-heptyl cyclohexane-1,2-dicarboxylate
CID 66983243

Frequently Asked Questions

What is the IUPAC name of 2-O-cyclohexyl 1-O-hexyl oxalate?
The IUPAC name of 2-O-cyclohexyl 1-O-hexyl oxalate (CID 6421307) is 2-O-cyclohexyl 1-O-hexyl oxalate.
What is the SMILES notation for 2-O-cyclohexyl 1-O-hexyl oxalate?
The canonical SMILES for 2-O-cyclohexyl 1-O-hexyl oxalate is CCCCCCOC(=O)C(=O)OC1CCCCC1.
What is the InChIKey of 2-O-cyclohexyl 1-O-hexyl oxalate?
The InChIKey is FFMBDUOMKUGXCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O4/c1-2-3-4-8-11-17-13(15)14(16)18-12-9-6-5-7-10-12/h12H,2-11H2,1H3.
What are the key properties of 2-O-cyclohexyl 1-O-hexyl oxalate?
2-O-cyclohexyl 1-O-hexyl oxalate has a molecular weight of 256.34 g/mol, XLogP of 2.99, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-O-cyclohexyl 1-O-hexyl oxalate is sourced from PubChem (CID 6421307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).