methyl (Z)-2,3-dimethyl-5-(oxan-2-yloxy)pent-2-enoate

C13H22O4 — CID 10354383

IUPACmethyl (Z)-2,3-dimethyl-5-(oxan-2-yloxy)pent-2-enoate
SMILESCOC(=O)/C(C)=C(/C)CCOC1CCCCO1
InChIInChI=1S/C13H22O4/c1-10(11(2)13(14)15-3)7-9-17-12-6-4-5-8-16-12/h12H,4-9H2,1-3H3/b11-10-
InChIKeyCNWUGNUXASQZJM-KHPPLWFESA-N
MW242.31 g/mol
LogP2.43
Rot. Bonds5

About methyl (Z)-2,3-dimethyl-5-(oxan-2-yloxy)pent-2-enoate

methyl (Z)-2,3-dimethyl-5-(oxan-2-yloxy)pent-2-enoate (PubChem CID 10354383) has the molecular formula C13H22O4 and a molecular weight of 242.31 g/mol. Its IUPAC name is methyl (Z)-2,3-dimethyl-5-(oxan-2-yloxy)pent-2-enoate.

Molecular Properties

Compound Namemethyl (Z)-2,3-dimethyl-5-(oxan-2-yloxy)pent-2-enoate
PubChem CID10354383
Molecular FormulaC13H22O4
Molecular Weight242.31 g/mol
Exact Mass242.15
IUPAC Namemethyl (Z)-2,3-dimethyl-5-(oxan-2-yloxy)pent-2-enoate
SMILESCOC(=O)/C(C)=C(/C)CCOC1CCCCO1
InChIInChI=1S/C13H22O4/c1-10(11(2)13(14)15-3)7-9-17-12-6-4-5-8-16-12/h12H,4-9H2,1-3H3/b11-10-
InChIKeyCNWUGNUXASQZJM-KHPPLWFESA-N
XLogP2.43
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.31
LogP ≤ 52.43
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

methyl 4-methyl-3-[2-(tetrahydro-2H-pyran-2-yloxy)ethyl]-2-pentenoate
CID 86690515
methyl (2E,4Z)-3-methyl-6-(oxan-2-yloxy)hexa-2,4-dienoate
CID 5469965
methyl (E,4S)-4-methyl-5-(oxan-2-yloxy)pent-2-enoate
CID 11481583
methyl (Z)-5-(oxan-2-yloxy)-2,3-bis(tributylstannyl)pent-2-enoate
CID 134865802
methyl (E)-5-(oxan-2-yloxy)-2-tributylstannylpent-2-enoate
CID 134865803
methyl (2E,6E)-6-methyl-8-(oxan-2-yloxy)octa-2,6-dienoate
CID 134972652
methyl (E)-5-(oxan-2-yloxy)pent-2-enoate
CID 5962826
Methyl 3-methyl-6-(tetrahydro-2H-pyran-2-yloxy)-2,4-hexadienoate
CID 6477579
methyl (E)-3-methyl-6-(oxan-2-yloxy)hex-2-enoate
CID 12454417
ethyl (2E,6E)-2,6-dimethyl-8-(oxan-2-yloxy)octa-2,6-dienoate
CID 9994739
3-Methyl-4,5,6,7a-tetrahydrofuro[2,3-b]pyran-2-one
CID 11412491
ethyl (E)-3-methyl-6-(oxan-2-yloxy)hex-2-enoate
CID 12824066

Frequently Asked Questions

What is the IUPAC name of methyl (Z)-2,3-dimethyl-5-(oxan-2-yloxy)pent-2-enoate?
The IUPAC name of methyl (Z)-2,3-dimethyl-5-(oxan-2-yloxy)pent-2-enoate (CID 10354383) is methyl (Z)-2,3-dimethyl-5-(oxan-2-yloxy)pent-2-enoate.
What is the SMILES notation for methyl (Z)-2,3-dimethyl-5-(oxan-2-yloxy)pent-2-enoate?
The canonical SMILES for methyl (Z)-2,3-dimethyl-5-(oxan-2-yloxy)pent-2-enoate is COC(=O)/C(C)=C(/C)CCOC1CCCCO1.
What is the InChIKey of methyl (Z)-2,3-dimethyl-5-(oxan-2-yloxy)pent-2-enoate?
The InChIKey is CNWUGNUXASQZJM-KHPPLWFESA-N. The full InChI is InChI=1S/C13H22O4/c1-10(11(2)13(14)15-3)7-9-17-12-6-4-5-8-16-12/h12H,4-9H2,1-3H3/b11-10-.
What are the key properties of methyl (Z)-2,3-dimethyl-5-(oxan-2-yloxy)pent-2-enoate?
methyl (Z)-2,3-dimethyl-5-(oxan-2-yloxy)pent-2-enoate has a molecular weight of 242.31 g/mol, XLogP of 2.43, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (Z)-2,3-dimethyl-5-(oxan-2-yloxy)pent-2-enoate is sourced from PubChem (CID 10354383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).