[(E)-3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-enyl] ethyl carbonate

C11H18O5 — CID 102039785

IUPAC[(E)-3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-enyl] ethyl carbonate
SMILESCCOC(=O)OC/C=C/[C@H]1COC(C)(C)O1
InChIInChI=1S/C11H18O5/c1-4-13-10(12)14-7-5-6-9-8-15-11(2,3)16-9/h5-6,9H,4,7-8H2,1-3H3/b6-5+/t9-/m0/s1
InChIKeySWNCMYFIVSFWGQ-CYNONHLPSA-N
MW230.26 g/mol
LogP1.87
Rot. Bonds4

About [(E)-3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-enyl] ethyl carbonate

[(E)-3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-enyl] ethyl carbonate (PubChem CID 102039785) has the molecular formula C11H18O5 and a molecular weight of 230.26 g/mol. Its IUPAC name is [(E)-3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-enyl] ethyl carbonate.

Molecular Properties

Compound Name[(E)-3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-enyl] ethyl carbonate
PubChem CID102039785
Molecular FormulaC11H18O5
Molecular Weight230.26 g/mol
Exact Mass230.12
IUPAC Name[(E)-3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-enyl] ethyl carbonate
SMILESCCOC(=O)OC/C=C/[C@H]1COC(C)(C)O1
InChIInChI=1S/C11H18O5/c1-4-13-10(12)14-7-5-6-9-8-15-11(2,3)16-9/h5-6,9H,4,7-8H2,1-3H3/b6-5+/t9-/m0/s1
InChIKeySWNCMYFIVSFWGQ-CYNONHLPSA-N
XLogP1.87
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.26
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

6-(2,2-dimethyl-1,3-dioxolan-4-yl)hex-5-enyl acetate
CID 71174193
[(E)-3-(2,2-dimethyl-1,3-dioxolan-4-yl)prop-2-enyl]-trimethylsilane
CID 11275935
(4S)-2,2-dimethyl-4-[(E)-pent-1-enyl]-1,3-dioxolane
CID 21178132
1-(2,2-dimethyl-1,3-dioxolan-4-yl)pent-1-en-3-one
CID 71339409
1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]pent-1-en-3-one
CID 71352243
(4R)-4-[(E)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]ethenyl]-2,2-dimethyl-1,3-dioxolane
CID 11310734
4-(3-bromoprop-1-enyl)-2,2-dimethyl-1,3-dioxolane
CID 72828688
[(E)-1-acetyloxy-3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-enyl] acetate
CID 101109016
(E)-3-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-enoic acid
CID 12861744
[(Z)-4-ethoxycarbonyloxybut-2-enyl] acetate
CID 11127322
ethyl (E)-4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methyl-4-oxobut-2-enoate
CID 132576255
ethyl (E)-4-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]but-2-enoate
CID 11736033

Frequently Asked Questions

What is the IUPAC name of [(E)-3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-enyl] ethyl carbonate?
The IUPAC name of [(E)-3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-enyl] ethyl carbonate (CID 102039785) is [(E)-3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-enyl] ethyl carbonate.
What is the SMILES notation for [(E)-3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-enyl] ethyl carbonate?
The canonical SMILES for [(E)-3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-enyl] ethyl carbonate is CCOC(=O)OC/C=C/[C@H]1COC(C)(C)O1.
What is the InChIKey of [(E)-3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-enyl] ethyl carbonate?
The InChIKey is SWNCMYFIVSFWGQ-CYNONHLPSA-N. The full InChI is InChI=1S/C11H18O5/c1-4-13-10(12)14-7-5-6-9-8-15-11(2,3)16-9/h5-6,9H,4,7-8H2,1-3H3/b6-5+/t9-/m0/s1.
What are the key properties of [(E)-3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-enyl] ethyl carbonate?
[(E)-3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-enyl] ethyl carbonate has a molecular weight of 230.26 g/mol, XLogP of 1.87, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-enyl] ethyl carbonate is sourced from PubChem (CID 102039785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).