(1S,2S)-1,2-bis[(2S)-4-methyl-3,6-dihydro-2H-pyran-2-yl]ethane-1,2-diol

C14H22O4 — CID 11402562

IUPAC(1S,2S)-1,2-bis[(2S)-4-methyl-3,6-dihydro-2H-pyran-2-yl]ethane-1,2-diol
SMILESCC1=CCO[C@H]([C@@H](O)[C@H](O)[C@@H]2CC(C)=CCO2)C1
InChIInChI=1S/C14H22O4/c1-9-3-5-17-11(7-9)13(15)14(16)12-8-10(2)4-6-18-12/h3-4,11-16H,5-8H2,1-2H3/t11-,12-,13+,14+/m0/s1
InChIKeyFEDDQBVINZMZSE-IGQOVBAYSA-N
MW254.33 g/mol
LogP1.18
Rot. Bonds3

About (1S,2S)-1,2-bis[(2S)-4-methyl-3,6-dihydro-2H-pyran-2-yl]ethane-1,2-diol

(1S,2S)-1,2-bis[(2S)-4-methyl-3,6-dihydro-2H-pyran-2-yl]ethane-1,2-diol (PubChem CID 11402562) has the molecular formula C14H22O4 and a molecular weight of 254.33 g/mol. Its IUPAC name is (1S,2S)-1,2-bis[(2S)-4-methyl-3,6-dihydro-2H-pyran-2-yl]ethane-1,2-diol.

Molecular Properties

Compound Name(1S,2S)-1,2-bis[(2S)-4-methyl-3,6-dihydro-2H-pyran-2-yl]ethane-1,2-diol
PubChem CID11402562
Molecular FormulaC14H22O4
Molecular Weight254.33 g/mol
Exact Mass254.15
IUPAC Name(1S,2S)-1,2-bis[(2S)-4-methyl-3,6-dihydro-2H-pyran-2-yl]ethane-1,2-diol
SMILESCC1=CCO[C@H]([C@@H](O)[C@H](O)[C@@H]2CC(C)=CCO2)C1
InChIInChI=1S/C14H22O4/c1-9-3-5-17-11(7-9)13(15)14(16)12-8-10(2)4-6-18-12/h3-4,11-16H,5-8H2,1-2H3/t11-,12-,13+,14+/m0/s1
InChIKeyFEDDQBVINZMZSE-IGQOVBAYSA-N
XLogP1.18
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (1S,2S)-1,2-bis[(2S)-4-methyl-3,6-dihydro-2H-pyran-2-yl]ethane-1,2-diol 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

(1S,2R,3R,6S)-6-[(1S,4R,5R,6S)-4,5,6-trihydroxycyclohex-2-en-1-yl]oxycyclohex-4-ene-1,2,3-triol
CID 9970553
(1R,2R,3R,4S)-3-[(1S,4R,5R,6S)-4,5,6-trihydroxycyclohex-2-en-1-yl]oxycyclohex-5-ene-1,2,4-triol
CID 10446016
ethyl (E,4R)-4-[(2S,3R,4R)-3,4-dihydroxyoxan-2-yl]-4-hydroxy-3-methylbut-2-enoate
CID 44563935
(2R,3R,4R,5R,6S,E)-2-(hydroxymethyl)-6-(prop-1-enyl)-tetrahydro-2H-pyran-3,4,5-triol
CID 44586823
Letendronol A
CID 156581879
Letendronol B
CID 156581880
(2R,3S,4S,5S)-2-[(3E,5S)-5-hydroxy-4,8-dimethylnona-3,7-dienyl]oxane-3,4,5-triol
CID 163104804
Galactosyl pentadecene
CID 132281348
1-(6-fluoro-3,4,8,8a-tetrahydro-2H-chromen-2-yl)propan-1-ol
CID 71220608
(1R,3S,5R,6S,8R,10S)-14-methyl-6-(3-methylbut-3-enyl)-2,7,11-trioxatricyclo[8.4.0.03,8]tetradec-13-en-5-ol
CID 10880938
(2S,4S)-4-[[(1R,2R,5R)-3-methylidene-8-oxabicyclo[3.2.1]oct-6-en-2-yl]oxy]pentan-2-ol
CID 10998670
(2S,3R,4E)-1-methoxy-4-(2-methoxyethylidene)octane-2,3-diol
CID 11183870

Frequently Asked Questions

What is the IUPAC name of (1S,2S)-1,2-bis[(2S)-4-methyl-3,6-dihydro-2H-pyran-2-yl]ethane-1,2-diol?
The IUPAC name of (1S,2S)-1,2-bis[(2S)-4-methyl-3,6-dihydro-2H-pyran-2-yl]ethane-1,2-diol (CID 11402562) is (1S,2S)-1,2-bis[(2S)-4-methyl-3,6-dihydro-2H-pyran-2-yl]ethane-1,2-diol.
What is the SMILES notation for (1S,2S)-1,2-bis[(2S)-4-methyl-3,6-dihydro-2H-pyran-2-yl]ethane-1,2-diol?
The canonical SMILES for (1S,2S)-1,2-bis[(2S)-4-methyl-3,6-dihydro-2H-pyran-2-yl]ethane-1,2-diol is CC1=CCO[C@H]([C@@H](O)[C@H](O)[C@@H]2CC(C)=CCO2)C1.
What is the InChIKey of (1S,2S)-1,2-bis[(2S)-4-methyl-3,6-dihydro-2H-pyran-2-yl]ethane-1,2-diol?
The InChIKey is FEDDQBVINZMZSE-IGQOVBAYSA-N. The full InChI is InChI=1S/C14H22O4/c1-9-3-5-17-11(7-9)13(15)14(16)12-8-10(2)4-6-18-12/h3-4,11-16H,5-8H2,1-2H3/t11-,12-,13+,14+/m0/s1.
What are the key properties of (1S,2S)-1,2-bis[(2S)-4-methyl-3,6-dihydro-2H-pyran-2-yl]ethane-1,2-diol?
(1S,2S)-1,2-bis[(2S)-4-methyl-3,6-dihydro-2H-pyran-2-yl]ethane-1,2-diol has a molecular weight of 254.33 g/mol, XLogP of 1.18, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S)-1,2-bis[(2S)-4-methyl-3,6-dihydro-2H-pyran-2-yl]ethane-1,2-diol is sourced from PubChem (CID 11402562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).