methyl (Z)-6-(oxan-2-yloxy)-4-(oxan-2-yloxymethyl)hex-4-en-2-ynoate

C18H26O6 — CID 25192663

IUPACmethyl (Z)-6-(oxan-2-yloxy)-4-(oxan-2-yloxymethyl)hex-4-en-2-ynoate
SMILESCOC(=O)C#C/C(=C/COC1CCCCO1)COC1CCCCO1
InChIInChI=1S/C18H26O6/c1-20-16(19)9-8-15(14-24-18-7-3-5-12-22-18)10-13-23-17-6-2-4-11-21-17/h10,17-18H,2-7,11-14H2,1H3/b15-10-
InChIKeyQULWWANODWJXKH-GDNBJRDFSA-N
MW338.40 g/mol
LogP2.18
Rot. Bonds6

About methyl (Z)-6-(oxan-2-yloxy)-4-(oxan-2-yloxymethyl)hex-4-en-2-ynoate

methyl (Z)-6-(oxan-2-yloxy)-4-(oxan-2-yloxymethyl)hex-4-en-2-ynoate (PubChem CID 25192663) has the molecular formula C18H26O6 and a molecular weight of 338.40 g/mol. Its IUPAC name is methyl (Z)-6-(oxan-2-yloxy)-4-(oxan-2-yloxymethyl)hex-4-en-2-ynoate.

Molecular Properties

Compound Namemethyl (Z)-6-(oxan-2-yloxy)-4-(oxan-2-yloxymethyl)hex-4-en-2-ynoate
PubChem CID25192663
Molecular FormulaC18H26O6
Molecular Weight338.40 g/mol
Exact Mass338.17
IUPAC Namemethyl (Z)-6-(oxan-2-yloxy)-4-(oxan-2-yloxymethyl)hex-4-en-2-ynoate
SMILESCOC(=O)C#C/C(=C/COC1CCCCO1)COC1CCCCO1
InChIInChI=1S/C18H26O6/c1-20-16(19)9-8-15(14-24-18-7-3-5-12-22-18)10-13-23-17-6-2-4-11-21-17/h10,17-18H,2-7,11-14H2,1H3/b15-10-
InChIKeyQULWWANODWJXKH-GDNBJRDFSA-N
XLogP2.18
TPSA63.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.40
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_5', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

ethyl (E)-7-methyl-8-tetrahydropyran-2-yloxy-oct-6-en-2-ynoate
CID 5387846
ethyl (E)-3-methyl-4-(oxan-2-yloxy)but-2-enoate
CID 11107104
[(E)-2-methyl-4-(oxan-2-yloxy)but-2-enyl] acetate
CID 10353730
(E)-3-methyl-4-(tetrahydro-2H-pyran-2-yloxy)but-2-enyl acetate
CID 11096364
2-(Oxan-2-yloxy)oxane;3,7,11-trimethyldodeca-2,6,10-trienyl acetate
CID 67810189
[3-Methyl-4-(oxan-2-yloxy)but-2-enyl] acetate
CID 68494013
2-[(E)-3-methylhex-2-en-4-ynoxy]oxane
CID 156569198
Ethyl 7-methyl-8-(oxan-2-yloxy)oct-6-en-2-ynoate
CID 363373
ethyl (Z)-3-methyl-4-(oxan-2-yloxy)but-2-enoate
CID 11117798
methyl (Z)-3-methyl-4-(oxan-2-yloxy)but-2-enoate
CID 11458551
methyl (E)-3-methyl-4-(oxan-2-yloxy)but-2-enoate
CID 13821190
methyl (E)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-(oxan-2-yloxy)hex-4-en-2-ynoate
CID 25194275

Frequently Asked Questions

What is the IUPAC name of methyl (Z)-6-(oxan-2-yloxy)-4-(oxan-2-yloxymethyl)hex-4-en-2-ynoate?
The IUPAC name of methyl (Z)-6-(oxan-2-yloxy)-4-(oxan-2-yloxymethyl)hex-4-en-2-ynoate (CID 25192663) is methyl (Z)-6-(oxan-2-yloxy)-4-(oxan-2-yloxymethyl)hex-4-en-2-ynoate.
What is the SMILES notation for methyl (Z)-6-(oxan-2-yloxy)-4-(oxan-2-yloxymethyl)hex-4-en-2-ynoate?
The canonical SMILES for methyl (Z)-6-(oxan-2-yloxy)-4-(oxan-2-yloxymethyl)hex-4-en-2-ynoate is COC(=O)C#C/C(=C/COC1CCCCO1)COC1CCCCO1.
What is the InChIKey of methyl (Z)-6-(oxan-2-yloxy)-4-(oxan-2-yloxymethyl)hex-4-en-2-ynoate?
The InChIKey is QULWWANODWJXKH-GDNBJRDFSA-N. The full InChI is InChI=1S/C18H26O6/c1-20-16(19)9-8-15(14-24-18-7-3-5-12-22-18)10-13-23-17-6-2-4-11-21-17/h10,17-18H,2-7,11-14H2,1H3/b15-10-.
What are the key properties of methyl (Z)-6-(oxan-2-yloxy)-4-(oxan-2-yloxymethyl)hex-4-en-2-ynoate?
methyl (Z)-6-(oxan-2-yloxy)-4-(oxan-2-yloxymethyl)hex-4-en-2-ynoate has a molecular weight of 338.40 g/mol, XLogP of 2.18, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (Z)-6-(oxan-2-yloxy)-4-(oxan-2-yloxymethyl)hex-4-en-2-ynoate is sourced from PubChem (CID 25192663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).