ethyl (E)-3-[(4R,5R)-5-[(R)-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-prop-2-ynoxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-enoate

C19H28O7 — CID 101144803

IUPACethyl (E)-3-[(4R,5R)-5-[(R)-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-prop-2-ynoxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-enoate
SMILESC#CCO[C@@H]([C@@H]1OC(C)(C)O[C@@H]1/C=C/C(=O)OCC)[C@H]1COC(C)(C)O1
InChIInChI=1S/C19H28O7/c1-7-11-22-16(14-12-23-18(3,4)25-14)17-13(24-19(5,6)26-17)9-10-15(20)21-8-2/h1,9-10,13-14,16-17H,8,11-12H2,2-6H3/b10-9+/t13-,14-,16-,17-/m1/s1
InChIKeyRFHUZXVZCHQBSC-VAFWRARPSA-N
MW368.43 g/mol
LogP1.80
Rot. Bonds7

About ethyl (E)-3-[(4R,5R)-5-[(R)-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-prop-2-ynoxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-enoate

ethyl (E)-3-[(4R,5R)-5-[(R)-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-prop-2-ynoxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-enoate (PubChem CID 101144803) has the molecular formula C19H28O7 and a molecular weight of 368.43 g/mol. Its IUPAC name is ethyl (E)-3-[(4R,5R)-5-[(R)-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-prop-2-ynoxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-enoate.

Molecular Properties

Compound Nameethyl (E)-3-[(4R,5R)-5-[(R)-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-prop-2-ynoxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-enoate
PubChem CID101144803
Molecular FormulaC19H28O7
Molecular Weight368.43 g/mol
Exact Mass368.18
IUPAC Nameethyl (E)-3-[(4R,5R)-5-[(R)-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-prop-2-ynoxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-enoate
SMILESC#CCO[C@@H]([C@@H]1OC(C)(C)O[C@@H]1/C=C/C(=O)OCC)[C@H]1COC(C)(C)O1
InChIInChI=1S/C19H28O7/c1-7-11-22-16(14-12-23-18(3,4)25-14)17-13(24-19(5,6)26-17)9-10-15(20)21-8-2/h1,9-10,13-14,16-17H,8,11-12H2,2-6H3/b10-9+/t13-,14-,16-,17-/m1/s1
InChIKeyRFHUZXVZCHQBSC-VAFWRARPSA-N
XLogP1.80
TPSA72.45 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.43
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze ethyl (E)-3-[(4R,5R)-5-[(R)-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-prop-2-ynoxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-enoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(1S,2R,3'S,5R)-4-hexa-2,4-diynylidenespiro[3,6-dioxabicyclo[3.1.0]hexane-2,2'-3H-furan]-3'-yl] 2-methylbut-2-enoate
CID 162870098
[(1S,2R,3'S,5R)-4-hexa-2,4-diynylidenespiro[3,6-dioxabicyclo[3.1.0]hexane-2,2'-3H-furan]-3'-yl] 3-methylbut-2-enoate
CID 162888151
[(1S,2R,3'S,4Z,5R)-4-hexa-2,4-diynylidenespiro[3,6-dioxabicyclo[3.1.0]hexane-2,2'-3H-furan]-3'-yl] 3-methylbut-2-enoate
CID 162888152
[(1S,2R,3'S,4Z,5R)-4-hexa-2,4-diynylidenespiro[3,6-dioxabicyclo[3.1.0]hexane-2,2'-3H-furan]-3'-yl] (Z)-2-methylbut-2-enoate
CID 163190884
ethyl (Z)-3-[(4R,5S)-5-[(R)-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-hydroxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-enoate
CID 5469056
(2R)-2-[(3aR,5R,6S,6aR)-6-methoxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-2,3-dihydropyran-6-one
CID 11288689
(1R,3R,6E,9R,12E,14R)-3,9,16,16-tetramethyl-4,10,15,17-tetraoxabicyclo[12.3.0]heptadeca-6,12-diene-5,11-dione
CID 13858773
ethyl (E)-3-[(4S,5S)-5-[(4R)-2,2-dimethyl-1,3-dioxolane-4-carbonyl]-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-enoate
CID 101472097
ethyl (Z)-3-[(4S,5S)-5-[(4R)-2,2-dimethyl-1,3-dioxolane-4-carbonyl]-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-enoate
CID 101472098
4-Angeloyloxy-8,9-epoxy-7-(2,4-hexadiynylidene)-1,6-dioxaspiro[4.4]non-2-ene
CID 129685425
ethyl (E)-3-(4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-8-yl)prop-2-enoate
CID 134832551
methyl (Z)-3-[(4S,5S)-5-[(3S)-3-acetyloxyhept-1-ynyl]-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-enoate
CID 134840307

Frequently Asked Questions

What is the IUPAC name of ethyl (E)-3-[(4R,5R)-5-[(R)-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-prop-2-ynoxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-enoate?
The IUPAC name of ethyl (E)-3-[(4R,5R)-5-[(R)-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-prop-2-ynoxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-enoate (CID 101144803) is ethyl (E)-3-[(4R,5R)-5-[(R)-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-prop-2-ynoxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-enoate.
What is the SMILES notation for ethyl (E)-3-[(4R,5R)-5-[(R)-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-prop-2-ynoxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-enoate?
The canonical SMILES for ethyl (E)-3-[(4R,5R)-5-[(R)-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-prop-2-ynoxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-enoate is C#CCO[C@@H]([C@@H]1OC(C)(C)O[C@@H]1/C=C/C(=O)OCC)[C@H]1COC(C)(C)O1.
What is the InChIKey of ethyl (E)-3-[(4R,5R)-5-[(R)-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-prop-2-ynoxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-enoate?
The InChIKey is RFHUZXVZCHQBSC-VAFWRARPSA-N. The full InChI is InChI=1S/C19H28O7/c1-7-11-22-16(14-12-23-18(3,4)25-14)17-13(24-19(5,6)26-17)9-10-15(20)21-8-2/h1,9-10,13-14,16-17H,8,11-12H2,2-6H3/b10-9+/t13-,14-,16-,17-/m1/s1.
What are the key properties of ethyl (E)-3-[(4R,5R)-5-[(R)-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-prop-2-ynoxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-enoate?
ethyl (E)-3-[(4R,5R)-5-[(R)-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-prop-2-ynoxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-enoate has a molecular weight of 368.43 g/mol, XLogP of 1.80, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (E)-3-[(4R,5R)-5-[(R)-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-prop-2-ynoxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-enoate is sourced from PubChem (CID 101144803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).