cyclohexa-2,4-dien-1-yl methyl carbonate

C8H10O3 — CID 69345996

IUPACcyclohexa-2,4-dien-1-yl methyl carbonate
SMILESCOC(=O)OC1C=CC=CC1
InChIInChI=1S/C8H10O3/c1-10-8(9)11-7-5-3-2-4-6-7/h2-5,7H,6H2,1H3
InChIKeyGLSVVFIAGHFCAX-UHFFFAOYSA-N
MW154.16 g/mol
LogP1.65
Rot. Bonds1

About cyclohexa-2,4-dien-1-yl methyl carbonate

cyclohexa-2,4-dien-1-yl methyl carbonate (PubChem CID 69345996) has the molecular formula C8H10O3 and a molecular weight of 154.16 g/mol. Its IUPAC name is cyclohexa-2,4-dien-1-yl methyl carbonate.

Molecular Properties

Compound Namecyclohexa-2,4-dien-1-yl methyl carbonate
PubChem CID69345996
Molecular FormulaC8H10O3
Molecular Weight154.16 g/mol
Exact Mass154.06
IUPAC Namecyclohexa-2,4-dien-1-yl methyl carbonate
SMILESCOC(=O)OC1C=CC=CC1
InChIInChI=1S/C8H10O3/c1-10-8(9)11-7-5-3-2-4-6-7/h2-5,7H,6H2,1H3
InChIKeyGLSVVFIAGHFCAX-UHFFFAOYSA-N
XLogP1.65
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.16
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of cyclohexa-2,4-dien-1-yl methyl carbonate?
The IUPAC name of cyclohexa-2,4-dien-1-yl methyl carbonate (CID 69345996) is cyclohexa-2,4-dien-1-yl methyl carbonate.
What is the SMILES notation for cyclohexa-2,4-dien-1-yl methyl carbonate?
The canonical SMILES for cyclohexa-2,4-dien-1-yl methyl carbonate is COC(=O)OC1C=CC=CC1.
What is the InChIKey of cyclohexa-2,4-dien-1-yl methyl carbonate?
The InChIKey is GLSVVFIAGHFCAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O3/c1-10-8(9)11-7-5-3-2-4-6-7/h2-5,7H,6H2,1H3.
What are the key properties of cyclohexa-2,4-dien-1-yl methyl carbonate?
cyclohexa-2,4-dien-1-yl methyl carbonate has a molecular weight of 154.16 g/mol, XLogP of 1.65, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexa-2,4-dien-1-yl methyl carbonate is sourced from PubChem (CID 69345996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).