(Z)-but-2-ene;ethane;1-[2-[2-[2-[2-(2-oxo-1,3-dioxolan-4-ylidene)ethoxy]ethoxy]ethoxy]ethoxy]pent-2-en-3-yl acetate

C24H42O9 — CID 153363330

IUPAC(Z)-but-2-ene;ethane;1-[2-[2-[2-[2-(2-oxo-1,3-dioxolan-4-ylidene)ethoxy]ethoxy]ethoxy]ethoxy]pent-2-en-3-yl acetate
SMILESC/C=C\C.CC.CCC(=CCOCCOCCOCCOCC=C1COC(=O)O1)OC(C)=O
InChIInChI=1S/C18H28O9.C4H8.C2H6/c1-3-16(26-15(2)19)4-6-21-8-10-23-12-13-24-11-9-22-7-5-17-14-25-18(20)27-17;1-3-4-2;1-2/h4-5H,3,6-14H2,1-2H3;3-4H,1-2H3;1-2H3/b;4-3-;
InChIKeyDVUMMYHRYUUNNG-LWFKIUJUSA-N
MW474.59 g/mol
LogP4.57
Rot. Bonds15

About (Z)-but-2-ene;ethane;1-[2-[2-[2-[2-(2-oxo-1,3-dioxolan-4-ylidene)ethoxy]ethoxy]ethoxy]ethoxy]pent-2-en-3-yl acetate

(Z)-but-2-ene;ethane;1-[2-[2-[2-[2-(2-oxo-1,3-dioxolan-4-ylidene)ethoxy]ethoxy]ethoxy]ethoxy]pent-2-en-3-yl acetate (PubChem CID 153363330) has the molecular formula C24H42O9 and a molecular weight of 474.59 g/mol. Its IUPAC name is (Z)-but-2-ene;ethane;1-[2-[2-[2-[2-(2-oxo-1,3-dioxolan-4-ylidene)ethoxy]ethoxy]ethoxy]ethoxy]pent-2-en-3-yl acetate.

Molecular Properties

Compound Name(Z)-but-2-ene;ethane;1-[2-[2-[2-[2-(2-oxo-1,3-dioxolan-4-ylidene)ethoxy]ethoxy]ethoxy]ethoxy]pent-2-en-3-yl acetate
PubChem CID153363330
Molecular FormulaC24H42O9
Molecular Weight474.59 g/mol
Exact Mass474.28
IUPAC Name(Z)-but-2-ene;ethane;1-[2-[2-[2-[2-(2-oxo-1,3-dioxolan-4-ylidene)ethoxy]ethoxy]ethoxy]ethoxy]pent-2-en-3-yl acetate
SMILESC/C=C\C.CC.CCC(=CCOCCOCCOCCOCC=C1COC(=O)O1)OC(C)=O
InChIInChI=1S/C18H28O9.C4H8.C2H6/c1-3-16(26-15(2)19)4-6-21-8-10-23-12-13-24-11-9-22-7-5-17-14-25-18(20)27-17;1-3-4-2;1-2/h4-5H,3,6-14H2,1-2H3;3-4H,1-2H3;1-2H3/b;4-3-;
InChIKeyDVUMMYHRYUUNNG-LWFKIUJUSA-N
XLogP4.57
TPSA98.75 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds15
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.59
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

[(E)-3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-enyl] acetate
CID 135315549
(2,5-Dimethoxy-5-methylfuran-2-yl)methyl acetate
CID 134854571
(5-Methyl-2-oxo-1,3-dioxol-4-yl)methyl pent-2-enoate
CID 53919776
[(E)-3-[(4S,5R)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-enyl] acetate
CID 59047495
3-(2,2-Dimethyl-1,3-dioxolan-4-yl)prop-2-enyl acetate
CID 72770437
3-[(4S,5R)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-enyl acetate
CID 91418679
(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl (E)-pent-2-enoate
CID 140363196
[(2E)-2-(5-methyl-2-oxo-1,3-dioxolan-4-ylidene)ethyl] 2,2-dimethylpropanoate
CID 141464262
ethyl (E)-4-(2-methyl-1,3-dioxolan-2-yl)but-3-enoate
CID 141904402
1-[2-[2-[2-[2-(2-Oxo-1,3-dioxolan-4-ylidene)ethoxy]ethoxy]ethoxy]ethoxy]pent-2-en-3-yl acetate
CID 146259932
bis[(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl] (E)-hex-3-enedioate
CID 154621400
bis[(3E)-3-(5,5-dimethyl-2-oxo-1,3-dioxolan-4-ylidene)propyl] (E)-hex-3-enedioate
CID 154621402

Frequently Asked Questions

What is the IUPAC name of (Z)-but-2-ene;ethane;1-[2-[2-[2-[2-(2-oxo-1,3-dioxolan-4-ylidene)ethoxy]ethoxy]ethoxy]ethoxy]pent-2-en-3-yl acetate?
The IUPAC name of (Z)-but-2-ene;ethane;1-[2-[2-[2-[2-(2-oxo-1,3-dioxolan-4-ylidene)ethoxy]ethoxy]ethoxy]ethoxy]pent-2-en-3-yl acetate (CID 153363330) is (Z)-but-2-ene;ethane;1-[2-[2-[2-[2-(2-oxo-1,3-dioxolan-4-ylidene)ethoxy]ethoxy]ethoxy]ethoxy]pent-2-en-3-yl acetate.
What is the SMILES notation for (Z)-but-2-ene;ethane;1-[2-[2-[2-[2-(2-oxo-1,3-dioxolan-4-ylidene)ethoxy]ethoxy]ethoxy]ethoxy]pent-2-en-3-yl acetate?
The canonical SMILES for (Z)-but-2-ene;ethane;1-[2-[2-[2-[2-(2-oxo-1,3-dioxolan-4-ylidene)ethoxy]ethoxy]ethoxy]ethoxy]pent-2-en-3-yl acetate is C/C=C\C.CC.CCC(=CCOCCOCCOCCOCC=C1COC(=O)O1)OC(C)=O.
What is the InChIKey of (Z)-but-2-ene;ethane;1-[2-[2-[2-[2-(2-oxo-1,3-dioxolan-4-ylidene)ethoxy]ethoxy]ethoxy]ethoxy]pent-2-en-3-yl acetate?
The InChIKey is DVUMMYHRYUUNNG-LWFKIUJUSA-N. The full InChI is InChI=1S/C18H28O9.C4H8.C2H6/c1-3-16(26-15(2)19)4-6-21-8-10-23-12-13-24-11-9-22-7-5-17-14-25-18(20)27-17;1-3-4-2;1-2/h4-5H,3,6-14H2,1-2H3;3-4H,1-2H3;1-2H3/b;4-3-;.
What are the key properties of (Z)-but-2-ene;ethane;1-[2-[2-[2-[2-(2-oxo-1,3-dioxolan-4-ylidene)ethoxy]ethoxy]ethoxy]ethoxy]pent-2-en-3-yl acetate?
(Z)-but-2-ene;ethane;1-[2-[2-[2-[2-(2-oxo-1,3-dioxolan-4-ylidene)ethoxy]ethoxy]ethoxy]ethoxy]pent-2-en-3-yl acetate has a molecular weight of 474.59 g/mol, XLogP of 4.57, 15 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-but-2-ene;ethane;1-[2-[2-[2-[2-(2-oxo-1,3-dioxolan-4-ylidene)ethoxy]ethoxy]ethoxy]ethoxy]pent-2-en-3-yl acetate is sourced from PubChem (CID 153363330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).