methyl (Z)-4-(oxan-2-yloxy)but-2-enoate

C10H16O4 — CID 5369208

IUPACmethyl (Z)-4-(oxan-2-yloxy)but-2-enoate
SMILESCOC(=O)/C=C\COC1CCCCO1
InChIInChI=1S/C10H16O4/c1-12-9(11)5-4-8-14-10-6-2-3-7-13-10/h4-5,10H,2-3,6-8H2,1H3/b5-4-
InChIKeySNJOVVNSRJRUCZ-PLNGDYQASA-N
MW200.23 g/mol
LogP1.26
Rot. Bonds4

About methyl (Z)-4-(oxan-2-yloxy)but-2-enoate

methyl (Z)-4-(oxan-2-yloxy)but-2-enoate (PubChem CID 5369208) has the molecular formula C10H16O4 and a molecular weight of 200.23 g/mol. Its IUPAC name is methyl (Z)-4-(oxan-2-yloxy)but-2-enoate.

Molecular Properties

Compound Namemethyl (Z)-4-(oxan-2-yloxy)but-2-enoate
PubChem CID5369208
Molecular FormulaC10H16O4
Molecular Weight200.23 g/mol
Exact Mass200.10
IUPAC Namemethyl (Z)-4-(oxan-2-yloxy)but-2-enoate
SMILESCOC(=O)/C=C\COC1CCCCO1
InChIInChI=1S/C10H16O4/c1-12-9(11)5-4-8-14-10-6-2-3-7-13-10/h4-5,10H,2-3,6-8H2,1H3/b5-4-
InChIKeySNJOVVNSRJRUCZ-PLNGDYQASA-N
XLogP1.26
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.23
LogP ≤ 51.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Oxan-2-yl prop-2-enoate
CID 21909470
(2E)-4-((Tetrahydro-2H-pyran-2-yl)oxy)-2-butenal
CID 6441703
2-Butenoic acid, 2-butenylidene ester, (E,E,E)-(8CI,9CI)
CID 6433527
methyl (E)-4-(oxan-2-yloxy)-3-tributylstannylbut-2-enoate
CID 11081459
methyl (2E,4E)-2-methyl-6-(oxan-2-yloxy)hexa-2,4-dienoate
CID 134902146
4-(Oxan-2-yloxy)but-2-enal
CID 171580
(Z)-4-(oxan-2-yloxy)but-2-enal
CID 12927816
Methyl 4,4-diethoxy-crotonate
CID 13899098
methyl (Z,4S)-4-(oxan-2-yloxy)pent-2-enoate
CID 59560731
2-Butenoic acid, 4-(tetrahydro-2H-pyran-2-yloxy)-, methyl ester
CID 5367955
ethyl (E)-3-methyl-4-(oxan-2-yloxy)but-2-enoate
CID 11107104
methyl (E,4S)-4-methyl-5-(oxan-2-yloxy)pent-2-enoate
CID 11481583

Frequently Asked Questions

What is the IUPAC name of methyl (Z)-4-(oxan-2-yloxy)but-2-enoate?
The IUPAC name of methyl (Z)-4-(oxan-2-yloxy)but-2-enoate (CID 5369208) is methyl (Z)-4-(oxan-2-yloxy)but-2-enoate.
What is the SMILES notation for methyl (Z)-4-(oxan-2-yloxy)but-2-enoate?
The canonical SMILES for methyl (Z)-4-(oxan-2-yloxy)but-2-enoate is COC(=O)/C=C\COC1CCCCO1.
What is the InChIKey of methyl (Z)-4-(oxan-2-yloxy)but-2-enoate?
The InChIKey is SNJOVVNSRJRUCZ-PLNGDYQASA-N. The full InChI is InChI=1S/C10H16O4/c1-12-9(11)5-4-8-14-10-6-2-3-7-13-10/h4-5,10H,2-3,6-8H2,1H3/b5-4-.
What are the key properties of methyl (Z)-4-(oxan-2-yloxy)but-2-enoate?
methyl (Z)-4-(oxan-2-yloxy)but-2-enoate has a molecular weight of 200.23 g/mol, XLogP of 1.26, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (Z)-4-(oxan-2-yloxy)but-2-enoate is sourced from PubChem (CID 5369208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).