(Z)-but-2-ene;ethane;[(2R)-2-fluoro-5-methyloxolan-2-yl]methyl 2-methylpropanoate

C16H31FO3 — CID 164880894

IUPAC(Z)-but-2-ene;ethane;[(2R)-2-fluoro-5-methyloxolan-2-yl]methyl 2-methylpropanoate
SMILESC/C=C\C.CC.CC1CC[C@@](F)(COC(=O)C(C)C)O1
InChIInChI=1S/C10H17FO3.C4H8.C2H6/c1-7(2)9(12)13-6-10(11)5-4-8(3)14-10;1-3-4-2;1-2/h7-8H,4-6H2,1-3H3;3-4H,1-2H3;1-2H3/b;4-3-;/t8?,10-;;/m0../s1
InChIKeySOOUDXMBWQMWTL-MMZBSSCMSA-N
MW290.42 g/mol
LogP4.66
Rot. Bonds3

About (Z)-but-2-ene;ethane;[(2R)-2-fluoro-5-methyloxolan-2-yl]methyl 2-methylpropanoate

(Z)-but-2-ene;ethane;[(2R)-2-fluoro-5-methyloxolan-2-yl]methyl 2-methylpropanoate (PubChem CID 164880894) has the molecular formula C16H31FO3 and a molecular weight of 290.42 g/mol. Its IUPAC name is (Z)-but-2-ene;ethane;[(2R)-2-fluoro-5-methyloxolan-2-yl]methyl 2-methylpropanoate.

Molecular Properties

Compound Name(Z)-but-2-ene;ethane;[(2R)-2-fluoro-5-methyloxolan-2-yl]methyl 2-methylpropanoate
PubChem CID164880894
Molecular FormulaC16H31FO3
Molecular Weight290.42 g/mol
Exact Mass290.23
IUPAC Name(Z)-but-2-ene;ethane;[(2R)-2-fluoro-5-methyloxolan-2-yl]methyl 2-methylpropanoate
SMILESC/C=C\C.CC.CC1CC[C@@](F)(COC(=O)C(C)C)O1
InChIInChI=1S/C10H17FO3.C4H8.C2H6/c1-7(2)9(12)13-6-10(11)5-4-8(3)14-10;1-3-4-2;1-2/h7-8H,4-6H2,1-3H3;3-4H,1-2H3;1-2H3/b;4-3-;/t8?,10-;;/m0../s1
InChIKeySOOUDXMBWQMWTL-MMZBSSCMSA-N
XLogP4.66
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.42
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-but-2-ene;ethane;[(2R)-2-fluoro-5-methyloxolan-2-yl]methyl 2-methylpropanoate?
The IUPAC name of (Z)-but-2-ene;ethane;[(2R)-2-fluoro-5-methyloxolan-2-yl]methyl 2-methylpropanoate (CID 164880894) is (Z)-but-2-ene;ethane;[(2R)-2-fluoro-5-methyloxolan-2-yl]methyl 2-methylpropanoate.
What is the SMILES notation for (Z)-but-2-ene;ethane;[(2R)-2-fluoro-5-methyloxolan-2-yl]methyl 2-methylpropanoate?
The canonical SMILES for (Z)-but-2-ene;ethane;[(2R)-2-fluoro-5-methyloxolan-2-yl]methyl 2-methylpropanoate is C/C=C\C.CC.CC1CC[C@@](F)(COC(=O)C(C)C)O1.
What is the InChIKey of (Z)-but-2-ene;ethane;[(2R)-2-fluoro-5-methyloxolan-2-yl]methyl 2-methylpropanoate?
The InChIKey is SOOUDXMBWQMWTL-MMZBSSCMSA-N. The full InChI is InChI=1S/C10H17FO3.C4H8.C2H6/c1-7(2)9(12)13-6-10(11)5-4-8(3)14-10;1-3-4-2;1-2/h7-8H,4-6H2,1-3H3;3-4H,1-2H3;1-2H3/b;4-3-;/t8?,10-;;/m0../s1.
What are the key properties of (Z)-but-2-ene;ethane;[(2R)-2-fluoro-5-methyloxolan-2-yl]methyl 2-methylpropanoate?
(Z)-but-2-ene;ethane;[(2R)-2-fluoro-5-methyloxolan-2-yl]methyl 2-methylpropanoate has a molecular weight of 290.42 g/mol, XLogP of 4.66, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-but-2-ene;ethane;[(2R)-2-fluoro-5-methyloxolan-2-yl]methyl 2-methylpropanoate is sourced from PubChem (CID 164880894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).