methyl (2R,3S)-2-(1,3-dioxolan-2-ylmethyl)-3-methyl-6-prop-2-enyloxane-2-carboxylate

C15H24O5 — CID 176889491

IUPACmethyl (2R,3S)-2-(1,3-dioxolan-2-ylmethyl)-3-methyl-6-prop-2-enyloxane-2-carboxylate
SMILESC=CCC1CC[C@H](C)[C@](CC2OCCO2)(C(=O)OC)O1
InChIInChI=1S/C15H24O5/c1-4-5-12-7-6-11(2)15(20-12,14(16)17-3)10-13-18-8-9-19-13/h4,11-13H,1,5-10H2,2-3H3/t11-,12?,15+/m0/s1
InChIKeyPPGDIFKTRQBIPD-CPNOVKFWSA-N
MW284.35 g/mol
LogP2.05
Rot. Bonds5

About methyl (2R,3S)-2-(1,3-dioxolan-2-ylmethyl)-3-methyl-6-prop-2-enyloxane-2-carboxylate

methyl (2R,3S)-2-(1,3-dioxolan-2-ylmethyl)-3-methyl-6-prop-2-enyloxane-2-carboxylate (PubChem CID 176889491) has the molecular formula C15H24O5 and a molecular weight of 284.35 g/mol. Its IUPAC name is methyl (2R,3S)-2-(1,3-dioxolan-2-ylmethyl)-3-methyl-6-prop-2-enyloxane-2-carboxylate.

Molecular Properties

Compound Namemethyl (2R,3S)-2-(1,3-dioxolan-2-ylmethyl)-3-methyl-6-prop-2-enyloxane-2-carboxylate
PubChem CID176889491
Molecular FormulaC15H24O5
Molecular Weight284.35 g/mol
Exact Mass284.16
IUPAC Namemethyl (2R,3S)-2-(1,3-dioxolan-2-ylmethyl)-3-methyl-6-prop-2-enyloxane-2-carboxylate
SMILESC=CCC1CC[C@H](C)[C@](CC2OCCO2)(C(=O)OC)O1
InChIInChI=1S/C15H24O5/c1-4-5-12-7-6-11(2)15(20-12,14(16)17-3)10-13-18-8-9-19-13/h4,11-13H,1,5-10H2,2-3H3/t11-,12?,15+/m0/s1
InChIKeyPPGDIFKTRQBIPD-CPNOVKFWSA-N
XLogP2.05
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.35
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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 (2R,3S)-2-(1,3-dioxolan-2-ylmethyl)-3-methyl-6-prop-2-enyloxane-2-carboxylate?
The IUPAC name of methyl (2R,3S)-2-(1,3-dioxolan-2-ylmethyl)-3-methyl-6-prop-2-enyloxane-2-carboxylate (CID 176889491) is methyl (2R,3S)-2-(1,3-dioxolan-2-ylmethyl)-3-methyl-6-prop-2-enyloxane-2-carboxylate.
What is the SMILES notation for methyl (2R,3S)-2-(1,3-dioxolan-2-ylmethyl)-3-methyl-6-prop-2-enyloxane-2-carboxylate?
The canonical SMILES for methyl (2R,3S)-2-(1,3-dioxolan-2-ylmethyl)-3-methyl-6-prop-2-enyloxane-2-carboxylate is C=CCC1CC[C@H](C)[C@](CC2OCCO2)(C(=O)OC)O1.
What is the InChIKey of methyl (2R,3S)-2-(1,3-dioxolan-2-ylmethyl)-3-methyl-6-prop-2-enyloxane-2-carboxylate?
The InChIKey is PPGDIFKTRQBIPD-CPNOVKFWSA-N. The full InChI is InChI=1S/C15H24O5/c1-4-5-12-7-6-11(2)15(20-12,14(16)17-3)10-13-18-8-9-19-13/h4,11-13H,1,5-10H2,2-3H3/t11-,12?,15+/m0/s1.
What are the key properties of methyl (2R,3S)-2-(1,3-dioxolan-2-ylmethyl)-3-methyl-6-prop-2-enyloxane-2-carboxylate?
methyl (2R,3S)-2-(1,3-dioxolan-2-ylmethyl)-3-methyl-6-prop-2-enyloxane-2-carboxylate has a molecular weight of 284.35 g/mol, XLogP of 2.05, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R,3S)-2-(1,3-dioxolan-2-ylmethyl)-3-methyl-6-prop-2-enyloxane-2-carboxylate is sourced from PubChem (CID 176889491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).