methyl (2Z)-2-[6-[3-(oxan-2-yloxy)prop-1-ynyl]-3,4-dihydropyran-2-ylidene]acetate

C16H20O5 — CID 10661304

IUPACmethyl (2Z)-2-[6-[3-(oxan-2-yloxy)prop-1-ynyl]-3,4-dihydropyran-2-ylidene]acetate
SMILESCOC(=O)/C=C1/CCC=C(C#CCOC2CCCCO2)O1
InChIInChI=1S/C16H20O5/c1-18-15(17)12-14-7-4-6-13(21-14)8-5-11-20-16-9-2-3-10-19-16/h6,12,16H,2-4,7,9-11H2,1H3/b14-12-
InChIKeyAAEHUBXLGPGCOQ-OWBHPGMISA-N
MW292.33 g/mol
LogP2.28
Rot. Bonds3

About methyl (2Z)-2-[6-[3-(oxan-2-yloxy)prop-1-ynyl]-3,4-dihydropyran-2-ylidene]acetate

methyl (2Z)-2-[6-[3-(oxan-2-yloxy)prop-1-ynyl]-3,4-dihydropyran-2-ylidene]acetate (PubChem CID 10661304) has the molecular formula C16H20O5 and a molecular weight of 292.33 g/mol. Its IUPAC name is methyl (2Z)-2-[6-[3-(oxan-2-yloxy)prop-1-ynyl]-3,4-dihydropyran-2-ylidene]acetate.

Molecular Properties

Compound Namemethyl (2Z)-2-[6-[3-(oxan-2-yloxy)prop-1-ynyl]-3,4-dihydropyran-2-ylidene]acetate
PubChem CID10661304
Molecular FormulaC16H20O5
Molecular Weight292.33 g/mol
Exact Mass292.13
IUPAC Namemethyl (2Z)-2-[6-[3-(oxan-2-yloxy)prop-1-ynyl]-3,4-dihydropyran-2-ylidene]acetate
SMILESCOC(=O)/C=C1/CCC=C(C#CCOC2CCCCO2)O1
InChIInChI=1S/C16H20O5/c1-18-15(17)12-14-7-4-6-13(21-14)8-5-11-20-16-9-2-3-10-19-16/h6,12,16H,2-4,7,9-11H2,1H3/b14-12-
InChIKeyAAEHUBXLGPGCOQ-OWBHPGMISA-N
XLogP2.28
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.33
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze methyl (2Z)-2-[6-[3-(oxan-2-yloxy)prop-1-ynyl]-3,4-dihydropyran-2-ylidene]acetate with MolForge

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Related Compounds

methyl (E)-6-(oxan-2-yloxy)hex-2-enoate
CID 14462366
ethyl (E)-7-methyl-8-tetrahydropyran-2-yloxy-oct-6-en-2-ynoate
CID 5387846
tert-butyl (E)-7-(oxan-2-yloxy)hept-2-enoate
CID 134859999
methyl (Z)-6-(oxan-2-yloxy)hex-2-enoate
CID 135039207
methyl (E)-3-(oxan-2-yloxy)but-2-enoate
CID 10330403
6-[3-(1,3-Dioxolan-2-yl)propyl]-2,2-dimethyl-1,3-dioxin-4-one
CID 10586238
methyl (E)-3-methyl-6-(oxan-2-yloxy)hex-2-enoate
CID 12454417
ethyl (E)-3-methyl-6-(oxan-2-yloxy)hex-2-enoate
CID 12824066
methyl (E)-7-(oxan-2-yloxy)hept-2-enoate
CID 13853642
Ethyl 3-methyl-6-(oxan-2-yloxy)hex-2-enoate
CID 54300011
Methyl 7-(oxan-2-yloxy)hept-2-enoate
CID 54404375
ethyl 3-[(2R)-oxan-2-yl]oxytetradec-2-enoate
CID 54443729

Frequently Asked Questions

What is the IUPAC name of methyl (2Z)-2-[6-[3-(oxan-2-yloxy)prop-1-ynyl]-3,4-dihydropyran-2-ylidene]acetate?
The IUPAC name of methyl (2Z)-2-[6-[3-(oxan-2-yloxy)prop-1-ynyl]-3,4-dihydropyran-2-ylidene]acetate (CID 10661304) is methyl (2Z)-2-[6-[3-(oxan-2-yloxy)prop-1-ynyl]-3,4-dihydropyran-2-ylidene]acetate.
What is the SMILES notation for methyl (2Z)-2-[6-[3-(oxan-2-yloxy)prop-1-ynyl]-3,4-dihydropyran-2-ylidene]acetate?
The canonical SMILES for methyl (2Z)-2-[6-[3-(oxan-2-yloxy)prop-1-ynyl]-3,4-dihydropyran-2-ylidene]acetate is COC(=O)/C=C1/CCC=C(C#CCOC2CCCCO2)O1.
What is the InChIKey of methyl (2Z)-2-[6-[3-(oxan-2-yloxy)prop-1-ynyl]-3,4-dihydropyran-2-ylidene]acetate?
The InChIKey is AAEHUBXLGPGCOQ-OWBHPGMISA-N. The full InChI is InChI=1S/C16H20O5/c1-18-15(17)12-14-7-4-6-13(21-14)8-5-11-20-16-9-2-3-10-19-16/h6,12,16H,2-4,7,9-11H2,1H3/b14-12-.
What are the key properties of methyl (2Z)-2-[6-[3-(oxan-2-yloxy)prop-1-ynyl]-3,4-dihydropyran-2-ylidene]acetate?
methyl (2Z)-2-[6-[3-(oxan-2-yloxy)prop-1-ynyl]-3,4-dihydropyran-2-ylidene]acetate has a molecular weight of 292.33 g/mol, XLogP of 2.28, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2Z)-2-[6-[3-(oxan-2-yloxy)prop-1-ynyl]-3,4-dihydropyran-2-ylidene]acetate is sourced from PubChem (CID 10661304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).