[(E)-3-(3,4-dihydro-2H-pyran-6-yl)prop-2-enyl] methyl carbonate

C10H14O4 — CID 11095588

IUPAC[(E)-3-(3,4-dihydro-2H-pyran-6-yl)prop-2-enyl] methyl carbonate
SMILESCOC(=O)OC/C=C/C1=CCCCO1
InChIInChI=1S/C10H14O4/c1-12-10(11)14-8-4-6-9-5-2-3-7-13-9/h4-6H,2-3,7-8H2,1H3/b6-4+
InChIKeyGEPLQALYPGCYIO-GQCTYLIASA-N
MW198.22 g/mol
LogP2.02
Rot. Bonds3

About [(E)-3-(3,4-dihydro-2H-pyran-6-yl)prop-2-enyl] methyl carbonate

[(E)-3-(3,4-dihydro-2H-pyran-6-yl)prop-2-enyl] methyl carbonate (PubChem CID 11095588) has the molecular formula C10H14O4 and a molecular weight of 198.22 g/mol. Its IUPAC name is [(E)-3-(3,4-dihydro-2H-pyran-6-yl)prop-2-enyl] methyl carbonate.

Molecular Properties

Compound Name[(E)-3-(3,4-dihydro-2H-pyran-6-yl)prop-2-enyl] methyl carbonate
PubChem CID11095588
Molecular FormulaC10H14O4
Molecular Weight198.22 g/mol
Exact Mass198.09
IUPAC Name[(E)-3-(3,4-dihydro-2H-pyran-6-yl)prop-2-enyl] methyl carbonate
SMILESCOC(=O)OC/C=C/C1=CCCCO1
InChIInChI=1S/C10H14O4/c1-12-10(11)14-8-4-6-9-5-2-3-7-13-9/h4-6H,2-3,7-8H2,1H3/b6-4+
InChIKeyGEPLQALYPGCYIO-GQCTYLIASA-N
XLogP2.02
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.22
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-Butoxy-2,6-dimethyl-2H-pyran
CID 3047542
1,3-Cyclohexadien-1-yl methyl carbonate
CID 13440030
(2S,4R)-6-ethenyl-2,4-dimethoxy-3,4-dihydro-2H-pyran
CID 14679088
[(E)-3-(3,4-dihydro-2H-pyran-6-yl)prop-2-enyl] acetate
CID 20732855
Bis(2-prop-1-en-2-ylpyran-2-yl) carbonate
CID 22267032
Bis(2-ethenylpyran-2-yl) carbonate
CID 22267061
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
(2E,4Z)-3-(2-propan-2-yloxypropan-2-yloxy)octa-2,4-diene
CID 58868373
(2-Carboxyoxycyclohexa-1,3-dien-1-yl) hydrogen carbonate
CID 66848289
(5-ethoxy-4H-1,3-benzodioxol-5-yl) acetate
CID 67603139
Bis(1-prop-1-enoxycyclohexa-2,4-dien-1-yl) carbonate
CID 67828798

Frequently Asked Questions

What is the IUPAC name of [(E)-3-(3,4-dihydro-2H-pyran-6-yl)prop-2-enyl] methyl carbonate?
The IUPAC name of [(E)-3-(3,4-dihydro-2H-pyran-6-yl)prop-2-enyl] methyl carbonate (CID 11095588) is [(E)-3-(3,4-dihydro-2H-pyran-6-yl)prop-2-enyl] methyl carbonate.
What is the SMILES notation for [(E)-3-(3,4-dihydro-2H-pyran-6-yl)prop-2-enyl] methyl carbonate?
The canonical SMILES for [(E)-3-(3,4-dihydro-2H-pyran-6-yl)prop-2-enyl] methyl carbonate is COC(=O)OC/C=C/C1=CCCCO1.
What is the InChIKey of [(E)-3-(3,4-dihydro-2H-pyran-6-yl)prop-2-enyl] methyl carbonate?
The InChIKey is GEPLQALYPGCYIO-GQCTYLIASA-N. The full InChI is InChI=1S/C10H14O4/c1-12-10(11)14-8-4-6-9-5-2-3-7-13-9/h4-6H,2-3,7-8H2,1H3/b6-4+.
What are the key properties of [(E)-3-(3,4-dihydro-2H-pyran-6-yl)prop-2-enyl] methyl carbonate?
[(E)-3-(3,4-dihydro-2H-pyran-6-yl)prop-2-enyl] methyl carbonate has a molecular weight of 198.22 g/mol, XLogP of 2.02, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-3-(3,4-dihydro-2H-pyran-6-yl)prop-2-enyl] methyl carbonate is sourced from PubChem (CID 11095588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).