ethyl 2-[(4S)-4-ethenyl-2-methyl-5-propan-2-yloxolan-2-yl]acetate

C14H24O3 — CID 102415962

IUPACethyl 2-[(4S)-4-ethenyl-2-methyl-5-propan-2-yloxolan-2-yl]acetate
SMILESC=C[C@@H]1CC(C)(CC(=O)OCC)OC1C(C)C
InChIInChI=1S/C14H24O3/c1-6-11-8-14(5,9-12(15)16-7-2)17-13(11)10(3)4/h6,10-11,13H,1,7-9H2,2-5H3/t11-,13?,14?/m1/s1
InChIKeyDQVXUJMTUSCTCT-LMWSTFAQSA-N
MW240.34 g/mol
LogP2.95
Rot. Bonds5

About ethyl 2-[(4S)-4-ethenyl-2-methyl-5-propan-2-yloxolan-2-yl]acetate

ethyl 2-[(4S)-4-ethenyl-2-methyl-5-propan-2-yloxolan-2-yl]acetate (PubChem CID 102415962) has the molecular formula C14H24O3 and a molecular weight of 240.34 g/mol. Its IUPAC name is ethyl 2-[(4S)-4-ethenyl-2-methyl-5-propan-2-yloxolan-2-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[(4S)-4-ethenyl-2-methyl-5-propan-2-yloxolan-2-yl]acetate
PubChem CID102415962
Molecular FormulaC14H24O3
Molecular Weight240.34 g/mol
Exact Mass240.17
IUPAC Nameethyl 2-[(4S)-4-ethenyl-2-methyl-5-propan-2-yloxolan-2-yl]acetate
SMILESC=C[C@@H]1CC(C)(CC(=O)OCC)OC1C(C)C
InChIInChI=1S/C14H24O3/c1-6-11-8-14(5,9-12(15)16-7-2)17-13(11)10(3)4/h6,10-11,13H,1,7-9H2,2-5H3/t11-,13?,14?/m1/s1
InChIKeyDQVXUJMTUSCTCT-LMWSTFAQSA-N
XLogP2.95
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.34
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(4R,5R)-4-ethenyl-5-tridecyloxolan-2-one
CID 53355543
(4R,5R)-4-ethenyl-5-nonyloxolan-2-one
CID 102462794
(2S)-2-[(2S,5R)-5-ethenyl-5-methyloxolan-2-yl]propanoic acid
CID 102174448
(1S,6S,9R,13R,14S,17R,19S)-1,6,13,14,19-pentamethyl-11-methylidene-9-propyl-8,20-dioxabicyclo[15.2.1]icosane-7,15-dione
CID 129696934
(2R)-2-[(2R,5S)-5-ethenyl-5-methyloxolan-2-yl]propanoic acid
CID 131221986
5-(but-3-en-1-yl)-3-propyldihydrofuran-2(3H)-one
CID 139586521
ethyl (2S)-2-[(2S,5S)-5-ethenyl-5-methyloxolan-2-yl]propanoate
CID 134828047
Amphidinin B
CID 16084778
(3S,4S)-3-non-8-enyl-4-propyl-oxetan-2-one
CID 86576803
Amphidinolide t
CID 129696933
Ethyl 2-(1-hydroxycyclohexyl)but-3-enoate
CID 10242289
Ethyl 2-(1-hydroxycyclopentyl)-3-butenoate
CID 10330364

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(4S)-4-ethenyl-2-methyl-5-propan-2-yloxolan-2-yl]acetate?
The IUPAC name of ethyl 2-[(4S)-4-ethenyl-2-methyl-5-propan-2-yloxolan-2-yl]acetate (CID 102415962) is ethyl 2-[(4S)-4-ethenyl-2-methyl-5-propan-2-yloxolan-2-yl]acetate.
What is the SMILES notation for ethyl 2-[(4S)-4-ethenyl-2-methyl-5-propan-2-yloxolan-2-yl]acetate?
The canonical SMILES for ethyl 2-[(4S)-4-ethenyl-2-methyl-5-propan-2-yloxolan-2-yl]acetate is C=C[C@@H]1CC(C)(CC(=O)OCC)OC1C(C)C.
What is the InChIKey of ethyl 2-[(4S)-4-ethenyl-2-methyl-5-propan-2-yloxolan-2-yl]acetate?
The InChIKey is DQVXUJMTUSCTCT-LMWSTFAQSA-N. The full InChI is InChI=1S/C14H24O3/c1-6-11-8-14(5,9-12(15)16-7-2)17-13(11)10(3)4/h6,10-11,13H,1,7-9H2,2-5H3/t11-,13?,14?/m1/s1.
What are the key properties of ethyl 2-[(4S)-4-ethenyl-2-methyl-5-propan-2-yloxolan-2-yl]acetate?
ethyl 2-[(4S)-4-ethenyl-2-methyl-5-propan-2-yloxolan-2-yl]acetate has a molecular weight of 240.34 g/mol, XLogP of 2.95, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(4S)-4-ethenyl-2-methyl-5-propan-2-yloxolan-2-yl]acetate is sourced from PubChem (CID 102415962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).