methyl 2-[(2S,6R)-6-methoxy-3-methyl-2-[(E)-pent-2-en-2-yl]-2,5-dihydropyran-6-yl]acetate

C15H24O4 — CID 14705410

IUPACmethyl 2-[(2S,6R)-6-methoxy-3-methyl-2-[(E)-pent-2-en-2-yl]-2,5-dihydropyran-6-yl]acetate
SMILESCC/C=C(\C)[C@@H]1O[C@](CC(=O)OC)(OC)CC=C1C
InChIInChI=1S/C15H24O4/c1-6-7-11(2)14-12(3)8-9-15(18-5,19-14)10-13(16)17-4/h7-8,14H,6,9-10H2,1-5H3/b11-7+/t14-,15+/m0/s1
InChIKeyHMSINAVPCNHSDU-PFYGFVOHSA-N
MW268.35 g/mol
LogP2.98
Rot. Bonds5

About methyl 2-[(2S,6R)-6-methoxy-3-methyl-2-[(E)-pent-2-en-2-yl]-2,5-dihydropyran-6-yl]acetate

methyl 2-[(2S,6R)-6-methoxy-3-methyl-2-[(E)-pent-2-en-2-yl]-2,5-dihydropyran-6-yl]acetate (PubChem CID 14705410) has the molecular formula C15H24O4 and a molecular weight of 268.35 g/mol. Its IUPAC name is methyl 2-[(2S,6R)-6-methoxy-3-methyl-2-[(E)-pent-2-en-2-yl]-2,5-dihydropyran-6-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[(2S,6R)-6-methoxy-3-methyl-2-[(E)-pent-2-en-2-yl]-2,5-dihydropyran-6-yl]acetate
PubChem CID14705410
Molecular FormulaC15H24O4
Molecular Weight268.35 g/mol
Exact Mass268.17
IUPAC Namemethyl 2-[(2S,6R)-6-methoxy-3-methyl-2-[(E)-pent-2-en-2-yl]-2,5-dihydropyran-6-yl]acetate
SMILESCC/C=C(\C)[C@@H]1O[C@](CC(=O)OC)(OC)CC=C1C
InChIInChI=1S/C15H24O4/c1-6-7-11(2)14-12(3)8-9-15(18-5,19-14)10-13(16)17-4/h7-8,14H,6,9-10H2,1-5H3/b11-7+/t14-,15+/m0/s1
InChIKeyHMSINAVPCNHSDU-PFYGFVOHSA-N
XLogP2.98
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.35
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 methyl 2-[(2S,6R)-6-methoxy-3-methyl-2-[(E)-pent-2-en-2-yl]-2,5-dihydropyran-6-yl]acetate?
The IUPAC name of methyl 2-[(2S,6R)-6-methoxy-3-methyl-2-[(E)-pent-2-en-2-yl]-2,5-dihydropyran-6-yl]acetate (CID 14705410) is methyl 2-[(2S,6R)-6-methoxy-3-methyl-2-[(E)-pent-2-en-2-yl]-2,5-dihydropyran-6-yl]acetate.
What is the SMILES notation for methyl 2-[(2S,6R)-6-methoxy-3-methyl-2-[(E)-pent-2-en-2-yl]-2,5-dihydropyran-6-yl]acetate?
The canonical SMILES for methyl 2-[(2S,6R)-6-methoxy-3-methyl-2-[(E)-pent-2-en-2-yl]-2,5-dihydropyran-6-yl]acetate is CC/C=C(\C)[C@@H]1O[C@](CC(=O)OC)(OC)CC=C1C.
What is the InChIKey of methyl 2-[(2S,6R)-6-methoxy-3-methyl-2-[(E)-pent-2-en-2-yl]-2,5-dihydropyran-6-yl]acetate?
The InChIKey is HMSINAVPCNHSDU-PFYGFVOHSA-N. The full InChI is InChI=1S/C15H24O4/c1-6-7-11(2)14-12(3)8-9-15(18-5,19-14)10-13(16)17-4/h7-8,14H,6,9-10H2,1-5H3/b11-7+/t14-,15+/m0/s1.
What are the key properties of methyl 2-[(2S,6R)-6-methoxy-3-methyl-2-[(E)-pent-2-en-2-yl]-2,5-dihydropyran-6-yl]acetate?
methyl 2-[(2S,6R)-6-methoxy-3-methyl-2-[(E)-pent-2-en-2-yl]-2,5-dihydropyran-6-yl]acetate has a molecular weight of 268.35 g/mol, XLogP of 2.98, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2S,6R)-6-methoxy-3-methyl-2-[(E)-pent-2-en-2-yl]-2,5-dihydropyran-6-yl]acetate is sourced from PubChem (CID 14705410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).