cyclohexa-1,3-dien-1-yl methyl carbonate

C8H10O3 — CID 13440030

IUPACcyclohexa-1,3-dien-1-yl methyl carbonate
SMILESCOC(=O)OC1=CC=CCC1
InChIInChI=1S/C8H10O3/c1-10-8(9)11-7-5-3-2-4-6-7/h2-3,5H,4,6H2,1H3
InChIKeyIPLLZIMNBPORLR-UHFFFAOYSA-N
MW154.16 g/mol
LogP2.00
Rot. Bonds1

About cyclohexa-1,3-dien-1-yl methyl carbonate

cyclohexa-1,3-dien-1-yl methyl carbonate (PubChem CID 13440030) has the molecular formula C8H10O3 and a molecular weight of 154.16 g/mol. Its IUPAC name is cyclohexa-1,3-dien-1-yl methyl carbonate.

Molecular Properties

Compound Namecyclohexa-1,3-dien-1-yl methyl carbonate
PubChem CID13440030
Molecular FormulaC8H10O3
Molecular Weight154.16 g/mol
Exact Mass154.06
IUPAC Namecyclohexa-1,3-dien-1-yl methyl carbonate
SMILESCOC(=O)OC1=CC=CCC1
InChIInChI=1S/C8H10O3/c1-10-8(9)11-7-5-3-2-4-6-7/h2-3,5H,4,6H2,1H3
InChIKeyIPLLZIMNBPORLR-UHFFFAOYSA-N
XLogP2.00
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 ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3-Fluoro-4-methylcyclohexa-1,3-dien-1-yl) methyl carbonate
CID 144298539
Methyl (3-methylcyclohexa-1,3-dien-1-yl) carbonate
CID 13440031
Methyl (3,5,5-trimethylcyclohexa-1,3-dien-1-yl) carbonate
CID 13440032
Methyl (3-methylidenecyclohexen-1-yl) carbonate
CID 13440035
methyl [(2E)-4-methylpenta-2,4-dien-2-yl] carbonate
CID 13440039
[(E)-3-(3,4-dihydro-2H-pyran-6-yl)prop-2-enyl] methyl carbonate
CID 11095588
1-(Methoxymethoxy)cyclohexa-1,3-diene
CID 12777330
Cyclohexa-1,3-diene;dimethyl carbonate
CID 22160247
Cyclohexa-1,3-dien-1-yl ethyl carbonate
CID 22377436
3-(3,4-dihydro-2H-pyran-6-yl)prop-2-enyl methyl carbonate
CID 53834313
Ethyl (2,6,6-trimethylcyclohexa-1,3-dien-1-yl) carbonate
CID 67373822
(2-Ethoxycarbonyloxycyclohexa-1,3-dien-1-yl) ethyl carbonate
CID 68382560

Frequently Asked Questions

What is the IUPAC name of cyclohexa-1,3-dien-1-yl methyl carbonate?
The IUPAC name of cyclohexa-1,3-dien-1-yl methyl carbonate (CID 13440030) is cyclohexa-1,3-dien-1-yl methyl carbonate.
What is the SMILES notation for cyclohexa-1,3-dien-1-yl methyl carbonate?
The canonical SMILES for cyclohexa-1,3-dien-1-yl methyl carbonate is COC(=O)OC1=CC=CCC1.
What is the InChIKey of cyclohexa-1,3-dien-1-yl methyl carbonate?
The InChIKey is IPLLZIMNBPORLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O3/c1-10-8(9)11-7-5-3-2-4-6-7/h2-3,5H,4,6H2,1H3.
What are the key properties of cyclohexa-1,3-dien-1-yl methyl carbonate?
cyclohexa-1,3-dien-1-yl methyl carbonate has a molecular weight of 154.16 g/mol, XLogP of 2.00, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexa-1,3-dien-1-yl methyl carbonate is sourced from PubChem (CID 13440030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).