[(2S,3S)-3-methyl-6-propan-2-yloxy-3,6-dihydro-2H-pyran-2-yl]methyl 2-methylpropyl carbonate

C15H26O5 — CID 10266009

IUPAC[(2S,3S)-3-methyl-6-propan-2-yloxy-3,6-dihydro-2H-pyran-2-yl]methyl 2-methylpropyl carbonate
SMILESCC(C)COC(=O)OC[C@H]1OC(OC(C)C)C=C[C@@H]1C
InChIInChI=1S/C15H26O5/c1-10(2)8-17-15(16)18-9-13-12(5)6-7-14(20-13)19-11(3)4/h6-7,10-14H,8-9H2,1-5H3/t12-,13+,14?/m0/s1
InChIKeyNZGMDUFODSEIER-WLDKUNSKSA-N
MW286.37 g/mol
LogP3.14
Rot. Bonds6

About [(2S,3S)-3-methyl-6-propan-2-yloxy-3,6-dihydro-2H-pyran-2-yl]methyl 2-methylpropyl carbonate

[(2S,3S)-3-methyl-6-propan-2-yloxy-3,6-dihydro-2H-pyran-2-yl]methyl 2-methylpropyl carbonate (PubChem CID 10266009) has the molecular formula C15H26O5 and a molecular weight of 286.37 g/mol. Its IUPAC name is [(2S,3S)-3-methyl-6-propan-2-yloxy-3,6-dihydro-2H-pyran-2-yl]methyl 2-methylpropyl carbonate.

Molecular Properties

Compound Name[(2S,3S)-3-methyl-6-propan-2-yloxy-3,6-dihydro-2H-pyran-2-yl]methyl 2-methylpropyl carbonate
PubChem CID10266009
Molecular FormulaC15H26O5
Molecular Weight286.37 g/mol
Exact Mass286.18
IUPAC Name[(2S,3S)-3-methyl-6-propan-2-yloxy-3,6-dihydro-2H-pyran-2-yl]methyl 2-methylpropyl carbonate
SMILESCC(C)COC(=O)OC[C@H]1OC(OC(C)C)C=C[C@@H]1C
InChIInChI=1S/C15H26O5/c1-10(2)8-17-15(16)18-9-13-12(5)6-7-14(20-13)19-11(3)4/h6-7,10-14H,8-9H2,1-5H3/t12-,13+,14?/m0/s1
InChIKeyNZGMDUFODSEIER-WLDKUNSKSA-N
XLogP3.14
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze [(2S,3S)-3-methyl-6-propan-2-yloxy-3,6-dihydro-2H-pyran-2-yl]methyl 2-methylpropyl carbonate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [(2S,3S)-3-methyl-6-propan-2-yloxy-3,6-dihydro-2H-pyran-2-yl]methyl 2-methylpropyl carbonate?
The IUPAC name of [(2S,3S)-3-methyl-6-propan-2-yloxy-3,6-dihydro-2H-pyran-2-yl]methyl 2-methylpropyl carbonate (CID 10266009) is [(2S,3S)-3-methyl-6-propan-2-yloxy-3,6-dihydro-2H-pyran-2-yl]methyl 2-methylpropyl carbonate.
What is the SMILES notation for [(2S,3S)-3-methyl-6-propan-2-yloxy-3,6-dihydro-2H-pyran-2-yl]methyl 2-methylpropyl carbonate?
The canonical SMILES for [(2S,3S)-3-methyl-6-propan-2-yloxy-3,6-dihydro-2H-pyran-2-yl]methyl 2-methylpropyl carbonate is CC(C)COC(=O)OC[C@H]1OC(OC(C)C)C=C[C@@H]1C.
What is the InChIKey of [(2S,3S)-3-methyl-6-propan-2-yloxy-3,6-dihydro-2H-pyran-2-yl]methyl 2-methylpropyl carbonate?
The InChIKey is NZGMDUFODSEIER-WLDKUNSKSA-N. The full InChI is InChI=1S/C15H26O5/c1-10(2)8-17-15(16)18-9-13-12(5)6-7-14(20-13)19-11(3)4/h6-7,10-14H,8-9H2,1-5H3/t12-,13+,14?/m0/s1.
What are the key properties of [(2S,3S)-3-methyl-6-propan-2-yloxy-3,6-dihydro-2H-pyran-2-yl]methyl 2-methylpropyl carbonate?
[(2S,3S)-3-methyl-6-propan-2-yloxy-3,6-dihydro-2H-pyran-2-yl]methyl 2-methylpropyl carbonate has a molecular weight of 286.37 g/mol, XLogP of 3.14, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,3S)-3-methyl-6-propan-2-yloxy-3,6-dihydro-2H-pyran-2-yl]methyl 2-methylpropyl carbonate is sourced from PubChem (CID 10266009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).