methyl (2S,6R)-2-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-6-prop-2-enyloxane-2-carboxylate

C16H26O5 — CID 176889578

IUPACmethyl (2S,6R)-2-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-6-prop-2-enyloxane-2-carboxylate
SMILESC=CC[C@H]1CCC[C@](C[C@@H]2COC(C)(C)O2)(C(=O)OC)O1
InChIInChI=1S/C16H26O5/c1-5-7-12-8-6-9-16(21-12,14(17)18-4)10-13-11-19-15(2,3)20-13/h5,12-13H,1,6-11H2,2-4H3/t12-,13+,16-/m0/s1
InChIKeyDKUPVWRTNSXPOS-ZENOOKHLSA-N
MW298.38 g/mol
LogP2.59
Rot. Bonds5

About methyl (2S,6R)-2-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-6-prop-2-enyloxane-2-carboxylate

methyl (2S,6R)-2-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-6-prop-2-enyloxane-2-carboxylate (PubChem CID 176889578) has the molecular formula C16H26O5 and a molecular weight of 298.38 g/mol. Its IUPAC name is methyl (2S,6R)-2-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-6-prop-2-enyloxane-2-carboxylate.

Molecular Properties

Compound Namemethyl (2S,6R)-2-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-6-prop-2-enyloxane-2-carboxylate
PubChem CID176889578
Molecular FormulaC16H26O5
Molecular Weight298.38 g/mol
Exact Mass298.18
IUPAC Namemethyl (2S,6R)-2-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-6-prop-2-enyloxane-2-carboxylate
SMILESC=CC[C@H]1CCC[C@](C[C@@H]2COC(C)(C)O2)(C(=O)OC)O1
InChIInChI=1S/C16H26O5/c1-5-7-12-8-6-9-16(21-12,14(17)18-4)10-13-11-19-15(2,3)20-13/h5,12-13H,1,6-11H2,2-4H3/t12-,13+,16-/m0/s1
InChIKeyDKUPVWRTNSXPOS-ZENOOKHLSA-N
XLogP2.59
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.38
LogP ≤ 52.59
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 (2S,6R)-2-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-6-prop-2-enyloxane-2-carboxylate?
The IUPAC name of methyl (2S,6R)-2-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-6-prop-2-enyloxane-2-carboxylate (CID 176889578) is methyl (2S,6R)-2-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-6-prop-2-enyloxane-2-carboxylate.
What is the SMILES notation for methyl (2S,6R)-2-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-6-prop-2-enyloxane-2-carboxylate?
The canonical SMILES for methyl (2S,6R)-2-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-6-prop-2-enyloxane-2-carboxylate is C=CC[C@H]1CCC[C@](C[C@@H]2COC(C)(C)O2)(C(=O)OC)O1.
What is the InChIKey of methyl (2S,6R)-2-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-6-prop-2-enyloxane-2-carboxylate?
The InChIKey is DKUPVWRTNSXPOS-ZENOOKHLSA-N. The full InChI is InChI=1S/C16H26O5/c1-5-7-12-8-6-9-16(21-12,14(17)18-4)10-13-11-19-15(2,3)20-13/h5,12-13H,1,6-11H2,2-4H3/t12-,13+,16-/m0/s1.
What are the key properties of methyl (2S,6R)-2-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-6-prop-2-enyloxane-2-carboxylate?
methyl (2S,6R)-2-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-6-prop-2-enyloxane-2-carboxylate has a molecular weight of 298.38 g/mol, XLogP of 2.59, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S,6R)-2-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-6-prop-2-enyloxane-2-carboxylate is sourced from PubChem (CID 176889578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).