cyclopentyl (2-formyl-4-methoxyphenyl) carbonate

C14H16O5 — CID 87274069

IUPACcyclopentyl (2-formyl-4-methoxyphenyl) carbonate
SMILESCOc1ccc(OC(=O)OC2CCCC2)c(C=O)c1
InChIInChI=1S/C14H16O5/c1-17-12-6-7-13(10(8-12)9-15)19-14(16)18-11-4-2-3-5-11/h6-9,11H,2-5H2,1H3
InChIKeyWCKVQFPBWIJQPY-UHFFFAOYSA-N
MW264.28 g/mol
LogP2.97
Rot. Bonds4

About cyclopentyl (2-formyl-4-methoxyphenyl) carbonate

cyclopentyl (2-formyl-4-methoxyphenyl) carbonate (PubChem CID 87274069) has the molecular formula C14H16O5 and a molecular weight of 264.28 g/mol. Its IUPAC name is cyclopentyl (2-formyl-4-methoxyphenyl) carbonate.

Molecular Properties

Compound Namecyclopentyl (2-formyl-4-methoxyphenyl) carbonate
PubChem CID87274069
Molecular FormulaC14H16O5
Molecular Weight264.28 g/mol
Exact Mass264.10
IUPAC Namecyclopentyl (2-formyl-4-methoxyphenyl) carbonate
SMILESCOc1ccc(OC(=O)OC2CCCC2)c(C=O)c1
InChIInChI=1S/C14H16O5/c1-17-12-6-7-13(10(8-12)9-15)19-14(16)18-11-4-2-3-5-11/h6-9,11H,2-5H2,1H3
InChIKeyWCKVQFPBWIJQPY-UHFFFAOYSA-N
XLogP2.97
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of cyclopentyl (2-formyl-4-methoxyphenyl) carbonate?
The IUPAC name of cyclopentyl (2-formyl-4-methoxyphenyl) carbonate (CID 87274069) is cyclopentyl (2-formyl-4-methoxyphenyl) carbonate.
What is the SMILES notation for cyclopentyl (2-formyl-4-methoxyphenyl) carbonate?
The canonical SMILES for cyclopentyl (2-formyl-4-methoxyphenyl) carbonate is COc1ccc(OC(=O)OC2CCCC2)c(C=O)c1.
What is the InChIKey of cyclopentyl (2-formyl-4-methoxyphenyl) carbonate?
The InChIKey is WCKVQFPBWIJQPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16O5/c1-17-12-6-7-13(10(8-12)9-15)19-14(16)18-11-4-2-3-5-11/h6-9,11H,2-5H2,1H3.
What are the key properties of cyclopentyl (2-formyl-4-methoxyphenyl) carbonate?
cyclopentyl (2-formyl-4-methoxyphenyl) carbonate has a molecular weight of 264.28 g/mol, XLogP of 2.97, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentyl (2-formyl-4-methoxyphenyl) carbonate is sourced from PubChem (CID 87274069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).