methyl (2R)-2-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]pent-4-enoate

C12H20O4 — CID 147705964

IUPACmethyl (2R)-2-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]pent-4-enoate
SMILESC=CC[C@@H](CCC1(C)OCCO1)C(=O)OC
InChIInChI=1S/C12H20O4/c1-4-5-10(11(13)14-3)6-7-12(2)15-8-9-16-12/h4,10H,1,5-9H2,2-3H3/t10-/m0/s1
InChIKeyGTTZZUYMXWLHQI-JTQLQIEISA-N
MW228.29 g/mol
LogP1.89
Rot. Bonds6

About methyl (2R)-2-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]pent-4-enoate

methyl (2R)-2-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]pent-4-enoate (PubChem CID 147705964) has the molecular formula C12H20O4 and a molecular weight of 228.29 g/mol. Its IUPAC name is methyl (2R)-2-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]pent-4-enoate.

Molecular Properties

Compound Namemethyl (2R)-2-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]pent-4-enoate
PubChem CID147705964
Molecular FormulaC12H20O4
Molecular Weight228.29 g/mol
Exact Mass228.14
IUPAC Namemethyl (2R)-2-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]pent-4-enoate
SMILESC=CC[C@@H](CCC1(C)OCCO1)C(=O)OC
InChIInChI=1S/C12H20O4/c1-4-5-10(11(13)14-3)6-7-12(2)15-8-9-16-12/h4,10H,1,5-9H2,2-3H3/t10-/m0/s1
InChIKeyGTTZZUYMXWLHQI-JTQLQIEISA-N
XLogP1.89
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze methyl (2R)-2-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]pent-4-enoate with MolForge

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Related Compounds

methyl 2-[(8R,9R)-9-prop-2-enyl-1,4-dioxaspiro[4.4]nonan-8-yl]acetate
CID 10681510
Methyl 4-(2-hex-5-enyl-1,3-dioxolan-2-yl)butanoate
CID 11253870
Methyl 2-(9-prop-2-enyl-1,4-dioxaspiro[4.4]nonan-8-yl)acetate
CID 85231002
Ethyl 2-ethyl-4-(2-methyl-1,3-dioxolan-2-yl)butanoate
CID 10036828
8-(2-Propen-1-yl)-1,4-dioxaspiro[4.5]decane-8-carboxylic acid ethyl ester
CID 58388153
(2R)-2-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]pent-4-enoic acid
CID 118175668
2-[2-(2-Methyl-1,3-dioxolan-2-yl)ethyl]pent-4-enoic acid
CID 123703871
[5-(2-Methoxyethoxy)-5-oxopentyl] 2-prop-2-enylhexanoate
CID 129012906
Dimethyl 2-[2-(2-but-3-enyl-1,3-dioxolan-2-yl)ethyl]propanedioate
CID 10755622
(3S,4S,5R)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-ethenyl-3-methyloxolan-2-one
CID 10823118
(4S,5R)-4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-5-prop-2-enyloxolan-2-one
CID 10889599
(4S,5S)-4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-5-prop-2-enyloxolan-2-one
CID 11075104

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]pent-4-enoate?
The IUPAC name of methyl (2R)-2-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]pent-4-enoate (CID 147705964) is methyl (2R)-2-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]pent-4-enoate.
What is the SMILES notation for methyl (2R)-2-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]pent-4-enoate?
The canonical SMILES for methyl (2R)-2-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]pent-4-enoate is C=CC[C@@H](CCC1(C)OCCO1)C(=O)OC.
What is the InChIKey of methyl (2R)-2-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]pent-4-enoate?
The InChIKey is GTTZZUYMXWLHQI-JTQLQIEISA-N. The full InChI is InChI=1S/C12H20O4/c1-4-5-10(11(13)14-3)6-7-12(2)15-8-9-16-12/h4,10H,1,5-9H2,2-3H3/t10-/m0/s1.
What are the key properties of methyl (2R)-2-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]pent-4-enoate?
methyl (2R)-2-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]pent-4-enoate has a molecular weight of 228.29 g/mol, XLogP of 1.89, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-2-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]pent-4-enoate is sourced from PubChem (CID 147705964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).