(2S,3R,6S)-6-cyclohexyloxy-3-(2-methoxyethoxymethoxy)-2-methyl-3,6-dihydro-2H-pyran

C16H28O5 — CID 134950459

IUPAC(2S,3R,6S)-6-cyclohexyloxy-3-(2-methoxyethoxymethoxy)-2-methyl-3,6-dihydro-2H-pyran
SMILESCOCCOCO[C@@H]1C=C[C@@H](OC2CCCCC2)O[C@H]1C
InChIInChI=1S/C16H28O5/c1-13-15(19-12-18-11-10-17-2)8-9-16(20-13)21-14-6-4-3-5-7-14/h8-9,13-16H,3-7,10-12H2,1-2H3/t13-,15+,16+/m0/s1
InChIKeyXFWWBXJUQTZUTH-NUEKZKHPSA-N
MW300.40 g/mol
LogP2.64
Rot. Bonds8

About (2S,3R,6S)-6-cyclohexyloxy-3-(2-methoxyethoxymethoxy)-2-methyl-3,6-dihydro-2H-pyran

(2S,3R,6S)-6-cyclohexyloxy-3-(2-methoxyethoxymethoxy)-2-methyl-3,6-dihydro-2H-pyran (PubChem CID 134950459) has the molecular formula C16H28O5 and a molecular weight of 300.40 g/mol. Its IUPAC name is (2S,3R,6S)-6-cyclohexyloxy-3-(2-methoxyethoxymethoxy)-2-methyl-3,6-dihydro-2H-pyran.

Molecular Properties

Compound Name(2S,3R,6S)-6-cyclohexyloxy-3-(2-methoxyethoxymethoxy)-2-methyl-3,6-dihydro-2H-pyran
PubChem CID134950459
Molecular FormulaC16H28O5
Molecular Weight300.40 g/mol
Exact Mass300.19
IUPAC Name(2S,3R,6S)-6-cyclohexyloxy-3-(2-methoxyethoxymethoxy)-2-methyl-3,6-dihydro-2H-pyran
SMILESCOCCOCO[C@@H]1C=C[C@@H](OC2CCCCC2)O[C@H]1C
InChIInChI=1S/C16H28O5/c1-13-15(19-12-18-11-10-17-2)8-9-16(20-13)21-14-6-4-3-5-7-14/h8-9,13-16H,3-7,10-12H2,1-2H3/t13-,15+,16+/m0/s1
InChIKeyXFWWBXJUQTZUTH-NUEKZKHPSA-N
XLogP2.64
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (2S,3R,6S)-6-cyclohexyloxy-3-(2-methoxyethoxymethoxy)-2-methyl-3,6-dihydro-2H-pyran with MolForge

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Related Compounds

(3-acetoxy-6-hex-5-enoxy-3,6-dihydro-2H-pyran-2-yl)methyl acetate
CID 388309
6-methoxy-2-pentyl-3,6-dihydro-2H-pyran
CID 12462321
(3-acetyloxy-6-cyclohexyloxy-3,6-dihydro-2H-pyran-2-yl)methyl acetate
CID 14104654
[(2R,3S)-3-acetyloxy-6-cyclohexyloxy-3,6-dihydro-2H-pyran-2-yl]methyl acetate
CID 14104655
(1R,2S,5R)-2-(1-methoxyprop-2-enoxy)-8-oxabicyclo[3.2.1]oct-6-ene
CID 42604313
2-[(2R)-3,6-Dihydro-2H-pyran-2-yl]-1,4-dioxaspiro[4.5]decane
CID 71424885
(2R)-2-[(2S)-3,6-Dihydro-2H-pyran-2-YL]-1,4-dioxaspiro[4.5]decane
CID 71424886
(2S,3S,6R)-6-cyclohexyloxy-3-(2-methoxyethoxymethoxy)-2-methyl-3,6-dihydro-2H-pyran
CID 134950460
(2S,3S,6S)-6-cyclohexyloxy-3-(2-methoxyethoxymethoxy)-2-methyl-3,6-dihydro-2H-pyran
CID 134950481
(2R,7R)-7-cyclohexyloxy-2-methyl-2,3,4,7-tetrahydrooxepine
CID 134950601
(2S,3R,6R)-6-cyclohexyloxy-3-(2-methoxyethoxymethoxy)-2-methyl-3,6-dihydro-2H-pyran
CID 134950602
(2R,7S)-7-cyclohexyloxy-2-methyl-2,3,4,7-tetrahydrooxepine
CID 134966614

Frequently Asked Questions

What is the IUPAC name of (2S,3R,6S)-6-cyclohexyloxy-3-(2-methoxyethoxymethoxy)-2-methyl-3,6-dihydro-2H-pyran?
The IUPAC name of (2S,3R,6S)-6-cyclohexyloxy-3-(2-methoxyethoxymethoxy)-2-methyl-3,6-dihydro-2H-pyran (CID 134950459) is (2S,3R,6S)-6-cyclohexyloxy-3-(2-methoxyethoxymethoxy)-2-methyl-3,6-dihydro-2H-pyran.
What is the SMILES notation for (2S,3R,6S)-6-cyclohexyloxy-3-(2-methoxyethoxymethoxy)-2-methyl-3,6-dihydro-2H-pyran?
The canonical SMILES for (2S,3R,6S)-6-cyclohexyloxy-3-(2-methoxyethoxymethoxy)-2-methyl-3,6-dihydro-2H-pyran is COCCOCO[C@@H]1C=C[C@@H](OC2CCCCC2)O[C@H]1C.
What is the InChIKey of (2S,3R,6S)-6-cyclohexyloxy-3-(2-methoxyethoxymethoxy)-2-methyl-3,6-dihydro-2H-pyran?
The InChIKey is XFWWBXJUQTZUTH-NUEKZKHPSA-N. The full InChI is InChI=1S/C16H28O5/c1-13-15(19-12-18-11-10-17-2)8-9-16(20-13)21-14-6-4-3-5-7-14/h8-9,13-16H,3-7,10-12H2,1-2H3/t13-,15+,16+/m0/s1.
What are the key properties of (2S,3R,6S)-6-cyclohexyloxy-3-(2-methoxyethoxymethoxy)-2-methyl-3,6-dihydro-2H-pyran?
(2S,3R,6S)-6-cyclohexyloxy-3-(2-methoxyethoxymethoxy)-2-methyl-3,6-dihydro-2H-pyran has a molecular weight of 300.40 g/mol, XLogP of 2.64, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R,6S)-6-cyclohexyloxy-3-(2-methoxyethoxymethoxy)-2-methyl-3,6-dihydro-2H-pyran is sourced from PubChem (CID 134950459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).