(2S)-2-[(4R,5R)-2,2-dimethyl-5-[(2S)-4-methyl-3,6-dihydro-2H-pyran-2-yl]-1,3-dioxolan-4-yl]-4-methyl-3,6-dihydro-2H-pyran

C17H26O4 — CID 11162206

IUPAC(2S)-2-[(4R,5R)-2,2-dimethyl-5-[(2S)-4-methyl-3,6-dihydro-2H-pyran-2-yl]-1,3-dioxolan-4-yl]-4-methyl-3,6-dihydro-2H-pyran
SMILESCC1=CCO[C@H]([C@H]2OC(C)(C)O[C@@H]2[C@@H]2CC(C)=CCO2)C1
InChIInChI=1S/C17H26O4/c1-11-5-7-18-13(9-11)15-16(21-17(3,4)20-15)14-10-12(2)6-8-19-14/h5-6,13-16H,7-10H2,1-4H3/t13-,14-,15+,16+/m0/s1
InChIKeyUWYWVJLDNVJLIR-CAOSSQGBSA-N
MW294.39 g/mol
LogP2.98
Rot. Bonds2

About (2S)-2-[(4R,5R)-2,2-dimethyl-5-[(2S)-4-methyl-3,6-dihydro-2H-pyran-2-yl]-1,3-dioxolan-4-yl]-4-methyl-3,6-dihydro-2H-pyran

(2S)-2-[(4R,5R)-2,2-dimethyl-5-[(2S)-4-methyl-3,6-dihydro-2H-pyran-2-yl]-1,3-dioxolan-4-yl]-4-methyl-3,6-dihydro-2H-pyran (PubChem CID 11162206) has the molecular formula C17H26O4 and a molecular weight of 294.39 g/mol. Its IUPAC name is (2S)-2-[(4R,5R)-2,2-dimethyl-5-[(2S)-4-methyl-3,6-dihydro-2H-pyran-2-yl]-1,3-dioxolan-4-yl]-4-methyl-3,6-dihydro-2H-pyran.

Molecular Properties

Compound Name(2S)-2-[(4R,5R)-2,2-dimethyl-5-[(2S)-4-methyl-3,6-dihydro-2H-pyran-2-yl]-1,3-dioxolan-4-yl]-4-methyl-3,6-dihydro-2H-pyran
PubChem CID11162206
Molecular FormulaC17H26O4
Molecular Weight294.39 g/mol
Exact Mass294.18
IUPAC Name(2S)-2-[(4R,5R)-2,2-dimethyl-5-[(2S)-4-methyl-3,6-dihydro-2H-pyran-2-yl]-1,3-dioxolan-4-yl]-4-methyl-3,6-dihydro-2H-pyran
SMILESCC1=CCO[C@H]([C@H]2OC(C)(C)O[C@@H]2[C@@H]2CC(C)=CCO2)C1
InChIInChI=1S/C17H26O4/c1-11-5-7-18-13(9-11)15-16(21-17(3,4)20-15)14-10-12(2)6-8-19-14/h5-6,13-16H,7-10H2,1-4H3/t13-,14-,15+,16+/m0/s1
InChIKeyUWYWVJLDNVJLIR-CAOSSQGBSA-N
XLogP2.98
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.39
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (2S)-2-[(4R,5R)-2,2-dimethyl-5-[(2S)-4-methyl-3,6-dihydro-2H-pyran-2-yl]-1,3-dioxolan-4-yl]-4-methyl-3,6-dihydro-2H-pyran with MolForge

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Related Compounds

(3aS,4S,4aS,9aR)-4-(methoxymethoxy)-2,2,6,6-tetramethyl-4,4a,8,9a-tetrahydro-3aH-[1,3]dioxolo[4,5-g][1,3]benzodioxine
CID 16037433
(3R)-3-methyl-3-[[(2R,6R)-4-methyl-2-(2-methylprop-1-enyl)-3,6-dihydro-2H-pyran-6-yl]methyl]-1,4-dioxaspiro[4.5]decane
CID 25111177
(3R)-3-methyl-3-[[(2R,6S)-4-methyl-2-(2-methylprop-1-enyl)-3,6-dihydro-2H-pyran-6-yl]methyl]-1,4-dioxaspiro[4.5]decane
CID 25111178
(3aR,3'aR,7aS,7'aS)-2,2,2',2'-Tetramethyl-3a,6,7,7a,3'a,6',7',7'a-octahydro-4,4'-bi[1,3-benzodioxolyl]
CID 101959095
Carbon monoxide;[[7-(cyclopenten-1-yl)-3,3-dimethyl-2,4-dioxabicyclo[3.2.0]hept-6-en-6-yl]-methoxymethylidene]chromium
CID 134884872
4-(7-Acetoxy-2,2-dimethyltetrahydro[1,3]dioxolo[4,5-c]pyran-6-yl)-3-methyl-but-2-enoic acid, methyl ester
CID 5363643
4-(7-Acetoxy-2,2-dimethyltetrahydro[1,3]dioxolo[4,5-c]pyran-4-yl)-3-methylbut-2-enoic acid, methyl ester
CID 5363957
1-Acetylcyclohexene ethyleneacetal
CID 10678693
[(1R)-3-(2-methyl-1,3-dioxolan-2-yl)cyclohex-2-en-1-yl] acetate
CID 10977181
(4R,5R)-2,2-dimethyl-4,5-bis[(1S)-3-methyl-1-prop-2-enoxybut-3-enyl]-1,3-dioxolane
CID 11348685
8-(3,6-dihydro-2H-pyran-4-yl)-1,4-dioxaspiro[4.5]dec-7-ene
CID 58562577
(7Z)-7-ethylidenespiro[4,7a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyran-2,1'-cyclohexane]
CID 59103840

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(4R,5R)-2,2-dimethyl-5-[(2S)-4-methyl-3,6-dihydro-2H-pyran-2-yl]-1,3-dioxolan-4-yl]-4-methyl-3,6-dihydro-2H-pyran?
The IUPAC name of (2S)-2-[(4R,5R)-2,2-dimethyl-5-[(2S)-4-methyl-3,6-dihydro-2H-pyran-2-yl]-1,3-dioxolan-4-yl]-4-methyl-3,6-dihydro-2H-pyran (CID 11162206) is (2S)-2-[(4R,5R)-2,2-dimethyl-5-[(2S)-4-methyl-3,6-dihydro-2H-pyran-2-yl]-1,3-dioxolan-4-yl]-4-methyl-3,6-dihydro-2H-pyran.
What is the SMILES notation for (2S)-2-[(4R,5R)-2,2-dimethyl-5-[(2S)-4-methyl-3,6-dihydro-2H-pyran-2-yl]-1,3-dioxolan-4-yl]-4-methyl-3,6-dihydro-2H-pyran?
The canonical SMILES for (2S)-2-[(4R,5R)-2,2-dimethyl-5-[(2S)-4-methyl-3,6-dihydro-2H-pyran-2-yl]-1,3-dioxolan-4-yl]-4-methyl-3,6-dihydro-2H-pyran is CC1=CCO[C@H]([C@H]2OC(C)(C)O[C@@H]2[C@@H]2CC(C)=CCO2)C1.
What is the InChIKey of (2S)-2-[(4R,5R)-2,2-dimethyl-5-[(2S)-4-methyl-3,6-dihydro-2H-pyran-2-yl]-1,3-dioxolan-4-yl]-4-methyl-3,6-dihydro-2H-pyran?
The InChIKey is UWYWVJLDNVJLIR-CAOSSQGBSA-N. The full InChI is InChI=1S/C17H26O4/c1-11-5-7-18-13(9-11)15-16(21-17(3,4)20-15)14-10-12(2)6-8-19-14/h5-6,13-16H,7-10H2,1-4H3/t13-,14-,15+,16+/m0/s1.
What are the key properties of (2S)-2-[(4R,5R)-2,2-dimethyl-5-[(2S)-4-methyl-3,6-dihydro-2H-pyran-2-yl]-1,3-dioxolan-4-yl]-4-methyl-3,6-dihydro-2H-pyran?
(2S)-2-[(4R,5R)-2,2-dimethyl-5-[(2S)-4-methyl-3,6-dihydro-2H-pyran-2-yl]-1,3-dioxolan-4-yl]-4-methyl-3,6-dihydro-2H-pyran has a molecular weight of 294.39 g/mol, XLogP of 2.98, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(4R,5R)-2,2-dimethyl-5-[(2S)-4-methyl-3,6-dihydro-2H-pyran-2-yl]-1,3-dioxolan-4-yl]-4-methyl-3,6-dihydro-2H-pyran is sourced from PubChem (CID 11162206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).