[(2S,3S,6S)-3-methyl-6-[(2R)-1-oxopropan-2-yl]oxan-2-yl]methyl 2-methylpropyl carbonate

C15H26O5 — CID 10424113

IUPAC[(2S,3S,6S)-3-methyl-6-[(2R)-1-oxopropan-2-yl]oxan-2-yl]methyl 2-methylpropyl carbonate
SMILESCC(C)COC(=O)OC[C@H]1O[C@H](C(C)C=O)CC[C@@H]1C
InChIInChI=1S/C15H26O5/c1-10(2)8-18-15(17)19-9-14-11(3)5-6-13(20-14)12(4)7-16/h7,10-14H,5-6,8-9H2,1-4H3/t11-,12?,13-,14+/m0/s1
InChIKeyWVWDSHTYANUTBJ-FUDCBSFHSA-N
MW286.37 g/mol
LogP2.81
Rot. Bonds6

About [(2S,3S,6S)-3-methyl-6-[(2R)-1-oxopropan-2-yl]oxan-2-yl]methyl 2-methylpropyl carbonate

[(2S,3S,6S)-3-methyl-6-[(2R)-1-oxopropan-2-yl]oxan-2-yl]methyl 2-methylpropyl carbonate (PubChem CID 10424113) has the molecular formula C15H26O5 and a molecular weight of 286.37 g/mol. Its IUPAC name is [(2S,3S,6S)-3-methyl-6-[(2R)-1-oxopropan-2-yl]oxan-2-yl]methyl 2-methylpropyl carbonate.

Molecular Properties

Compound Name[(2S,3S,6S)-3-methyl-6-[(2R)-1-oxopropan-2-yl]oxan-2-yl]methyl 2-methylpropyl carbonate
PubChem CID10424113
Molecular FormulaC15H26O5
Molecular Weight286.37 g/mol
Exact Mass286.18
IUPAC Name[(2S,3S,6S)-3-methyl-6-[(2R)-1-oxopropan-2-yl]oxan-2-yl]methyl 2-methylpropyl carbonate
SMILESCC(C)COC(=O)OC[C@H]1O[C@H](C(C)C=O)CC[C@@H]1C
InChIInChI=1S/C15H26O5/c1-10(2)8-18-15(17)19-9-14-11(3)5-6-13(20-14)12(4)7-16/h7,10-14H,5-6,8-9H2,1-4H3/t11-,12?,13-,14+/m0/s1
InChIKeyWVWDSHTYANUTBJ-FUDCBSFHSA-N
XLogP2.81
TPSA61.83 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 ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze [(2S,3S,6S)-3-methyl-6-[(2R)-1-oxopropan-2-yl]oxan-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

Related Compounds

1,3-Dioxolane-2-acetic acid, 2-methyl-alpha-pentyl-, ethyl ester
CID 175122
methyl (2R)-2-[(2R,5S,6R)-5-methyl-6-[(2R)-1-oxopropan-2-yl]oxan-2-yl]butanoate
CID 11630263
methyl 2-((2R,3R,5R,6S)-3,5-dimethyl-6-((S)-1-oxopropan-2-yl)tetrahydro-2H-pyran-2-yl)acetate
CID 154731523
Methyl 2-[5-methyl-6-(1-oxopropan-2-yl)oxan-2-yl]butanoate
CID 14412994
Methyl 2-(oxan-2-yl)-6-oxohexanoate
CID 54213605
(2-Hexyl-2-methyl-1,3-dioxan-5-yl) 4-methyloctanoate
CID 58004865
[(3S,4R,5R,6S)-4,5-dimethyl-6-(2-oxopropyl)oxan-3-yl] acetate
CID 58633644
[(2R,3R,4S,5S,6R)-5-acetyloxy-2-ethyl-3-methyl-6-(2-oxoethyl)oxan-4-yl] acetate
CID 117850173
5-(5,6-Dimethoxyhexanoyl)-2,2-dimethyl-1,3-dioxane-4,6-dione
CID 118120104
Ethyl 3-ethoxycarbonyloxy-2-propylheptanoate
CID 122517253
Ethyl 3-ethoxycarbonyloxy-2-ethylheptanoate
CID 122517404
[(3R,4R,6R)-3-acetyloxy-4,5-dimethyl-6-(2-oxoethyl)oxan-2-yl]methyl acetate
CID 124164318

Frequently Asked Questions

What is the IUPAC name of [(2S,3S,6S)-3-methyl-6-[(2R)-1-oxopropan-2-yl]oxan-2-yl]methyl 2-methylpropyl carbonate?
The IUPAC name of [(2S,3S,6S)-3-methyl-6-[(2R)-1-oxopropan-2-yl]oxan-2-yl]methyl 2-methylpropyl carbonate (CID 10424113) is [(2S,3S,6S)-3-methyl-6-[(2R)-1-oxopropan-2-yl]oxan-2-yl]methyl 2-methylpropyl carbonate.
What is the SMILES notation for [(2S,3S,6S)-3-methyl-6-[(2R)-1-oxopropan-2-yl]oxan-2-yl]methyl 2-methylpropyl carbonate?
The canonical SMILES for [(2S,3S,6S)-3-methyl-6-[(2R)-1-oxopropan-2-yl]oxan-2-yl]methyl 2-methylpropyl carbonate is CC(C)COC(=O)OC[C@H]1O[C@H](C(C)C=O)CC[C@@H]1C.
What is the InChIKey of [(2S,3S,6S)-3-methyl-6-[(2R)-1-oxopropan-2-yl]oxan-2-yl]methyl 2-methylpropyl carbonate?
The InChIKey is WVWDSHTYANUTBJ-FUDCBSFHSA-N. The full InChI is InChI=1S/C15H26O5/c1-10(2)8-18-15(17)19-9-14-11(3)5-6-13(20-14)12(4)7-16/h7,10-14H,5-6,8-9H2,1-4H3/t11-,12?,13-,14+/m0/s1.
What are the key properties of [(2S,3S,6S)-3-methyl-6-[(2R)-1-oxopropan-2-yl]oxan-2-yl]methyl 2-methylpropyl carbonate?
[(2S,3S,6S)-3-methyl-6-[(2R)-1-oxopropan-2-yl]oxan-2-yl]methyl 2-methylpropyl carbonate has a molecular weight of 286.37 g/mol, XLogP of 2.81, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,3S,6S)-3-methyl-6-[(2R)-1-oxopropan-2-yl]oxan-2-yl]methyl 2-methylpropyl carbonate is sourced from PubChem (CID 10424113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).