buta-2,3-dienyl methyl carbonate

C6H8O3 — CID 10855467

IUPACbuta-2,3-dienyl methyl carbonate
SMILESC=C=CCOC(=O)OC
InChIInChI=1S/C6H8O3/c1-3-4-5-9-6(7)8-2/h4H,1,5H2,2H3
InChIKeyGURDXONMCYGBNW-UHFFFAOYSA-N
MW128.13 g/mol
LogP1.11
Rot. Bonds2

About buta-2,3-dienyl methyl carbonate

buta-2,3-dienyl methyl carbonate (PubChem CID 10855467) has the molecular formula C6H8O3 and a molecular weight of 128.13 g/mol. Its IUPAC name is buta-2,3-dienyl methyl carbonate.

Molecular Properties

Compound Namebuta-2,3-dienyl methyl carbonate
PubChem CID10855467
Molecular FormulaC6H8O3
Molecular Weight128.13 g/mol
Exact Mass128.05
IUPAC Namebuta-2,3-dienyl methyl carbonate
SMILESC=C=CCOC(=O)OC
InChIInChI=1S/C6H8O3/c1-3-4-5-9-6(7)8-2/h4H,1,5H2,2H3
InChIKeyGURDXONMCYGBNW-UHFFFAOYSA-N
XLogP1.11
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.13
LogP ≤ 51.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-oxoethyl carbonate
CID 20662885
buta-2,3-dienyl prop-2-enoate
CID 91383520
buta-2,3-dienyl pentanoate
CID 91395585
methyl 2-oxohexa-4,5-dienoate
CID 164853093
[(E)-3-(2-fluorophenyl)prop-2-enyl] methyl carbonate
CID 101422727
ethyl methyl carbonate;prop-2-enyl hydrogen carbonate
CID 174592666
penta-3,4-dienyl 4-methyl-3-oxopentanoate
CID 54754362
methyl [(Z)-4-(3-methylbut-2-enoxy)but-2-enyl] carbonate
CID 101449662
2-[buta-2,3-dienoxy(dimethyl)silyl]ethyl acetate
CID 134885123
[(E)-3-(4-bromophenyl)prop-2-enyl] methyl carbonate
CID 23630652
tetramethyl nona-7,8-diene-1,1,5,5-tetracarboxylate
CID 135072670
methyl (Z)-3-(4-buta-2,3-dienoxyphenyl)prop-2-enoate
CID 10105253

Frequently Asked Questions

What is the IUPAC name of buta-2,3-dienyl methyl carbonate?
The IUPAC name of buta-2,3-dienyl methyl carbonate (CID 10855467) is buta-2,3-dienyl methyl carbonate.
What is the SMILES notation for buta-2,3-dienyl methyl carbonate?
The canonical SMILES for buta-2,3-dienyl methyl carbonate is C=C=CCOC(=O)OC.
What is the InChIKey of buta-2,3-dienyl methyl carbonate?
The InChIKey is GURDXONMCYGBNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8O3/c1-3-4-5-9-6(7)8-2/h4H,1,5H2,2H3.
What are the key properties of buta-2,3-dienyl methyl carbonate?
buta-2,3-dienyl methyl carbonate has a molecular weight of 128.13 g/mol, XLogP of 1.11, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for buta-2,3-dienyl methyl carbonate is sourced from PubChem (CID 10855467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).