(E,6S)-6-[(2S,6R)-2-(phenylmethoxymethyl)-3,6-dihydro-2H-pyran-6-yl]hex-2-ene-1,6-diol

C19H26O4 — CID 44541660

IUPAC(E,6S)-6-[(2S,6R)-2-(phenylmethoxymethyl)-3,6-dihydro-2H-pyran-6-yl]hex-2-ene-1,6-diol
SMILESOC/C=C/CC[C@H](O)[C@H]1C=CC[C@@H](COCc2ccccc2)O1
InChIInChI=1S/C19H26O4/c20-13-6-2-5-11-18(21)19-12-7-10-17(23-19)15-22-14-16-8-3-1-4-9-16/h1-4,6-9,12,17-21H,5,10-11,13-15H2/b6-2+/t17-,18-,19+/m0/s1
InChIKeyFOJKBQQBVRITKY-RLRMVEOCSA-N
MW318.41 g/mol
LogP2.61
Rot. Bonds9

About (E,6S)-6-[(2S,6R)-2-(phenylmethoxymethyl)-3,6-dihydro-2H-pyran-6-yl]hex-2-ene-1,6-diol

(E,6S)-6-[(2S,6R)-2-(phenylmethoxymethyl)-3,6-dihydro-2H-pyran-6-yl]hex-2-ene-1,6-diol (PubChem CID 44541660) has the molecular formula C19H26O4 and a molecular weight of 318.41 g/mol. Its IUPAC name is (E,6S)-6-[(2S,6R)-2-(phenylmethoxymethyl)-3,6-dihydro-2H-pyran-6-yl]hex-2-ene-1,6-diol.

Molecular Properties

Compound Name(E,6S)-6-[(2S,6R)-2-(phenylmethoxymethyl)-3,6-dihydro-2H-pyran-6-yl]hex-2-ene-1,6-diol
PubChem CID44541660
Molecular FormulaC19H26O4
Molecular Weight318.41 g/mol
Exact Mass318.18
IUPAC Name(E,6S)-6-[(2S,6R)-2-(phenylmethoxymethyl)-3,6-dihydro-2H-pyran-6-yl]hex-2-ene-1,6-diol
SMILESOC/C=C/CC[C@H](O)[C@H]1C=CC[C@@H](COCc2ccccc2)O1
InChIInChI=1S/C19H26O4/c20-13-6-2-5-11-18(21)19-12-7-10-17(23-19)15-22-14-16-8-3-1-4-9-16/h1-4,6-9,12,17-21H,5,10-11,13-15H2/b6-2+/t17-,18-,19+/m0/s1
InChIKeyFOJKBQQBVRITKY-RLRMVEOCSA-N
XLogP2.61
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.41
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (E,6S)-6-[(2S,6R)-2-(phenylmethoxymethyl)-3,6-dihydro-2H-pyran-6-yl]hex-2-ene-1,6-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

(1R)-1-[(1R,2R)-2-(phenylmethoxymethyl)cyclopent-3-en-1-yl]ethane-1,2-diol
CID 135038520
(1R)-1-[(6R)-3,6-dihydro-2H-pyran-6-yl]-3-phenylmethoxypropan-1-ol
CID 101483428
(2S)-2-(phenylmethoxymethyl)-3,6-dihydro-2H-pyran
CID 46862703
(2R)-2-(phenylmethoxymethyl)-3,6-dihydro-2H-pyran
CID 130750045
5-phenylmethoxypent-2-ene-1,4-diol
CID 85308041
(E)-3-[(4R,6R)-2,2-dimethyl-6-(phenylmethoxymethyl)-1,3-dioxan-4-yl]prop-2-en-1-ol
CID 134972307
(S)-phenyl-[(2S,3R,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]methanol
CID 10908343
bis[(2R,3R)-3-(phenylmethoxymethyl)oxiran-2-yl]methanol
CID 102597561
(2S,6S)-2,6-bis(phenylmethoxymethyl)morpholine
CID 176754636
(1R)-1-[(2R,5R)-5-(phenylmethoxymethyl)oxolan-2-yl]undecan-1-ol
CID 11545059
[4-(phenylmethoxymethyl)-1,3-dioxan-2-yl]methanol
CID 23452412
[(2R,3S,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]methanol
CID 175374479

Frequently Asked Questions

What is the IUPAC name of (E,6S)-6-[(2S,6R)-2-(phenylmethoxymethyl)-3,6-dihydro-2H-pyran-6-yl]hex-2-ene-1,6-diol?
The IUPAC name of (E,6S)-6-[(2S,6R)-2-(phenylmethoxymethyl)-3,6-dihydro-2H-pyran-6-yl]hex-2-ene-1,6-diol (CID 44541660) is (E,6S)-6-[(2S,6R)-2-(phenylmethoxymethyl)-3,6-dihydro-2H-pyran-6-yl]hex-2-ene-1,6-diol.
What is the SMILES notation for (E,6S)-6-[(2S,6R)-2-(phenylmethoxymethyl)-3,6-dihydro-2H-pyran-6-yl]hex-2-ene-1,6-diol?
The canonical SMILES for (E,6S)-6-[(2S,6R)-2-(phenylmethoxymethyl)-3,6-dihydro-2H-pyran-6-yl]hex-2-ene-1,6-diol is OC/C=C/CC[C@H](O)[C@H]1C=CC[C@@H](COCc2ccccc2)O1.
What is the InChIKey of (E,6S)-6-[(2S,6R)-2-(phenylmethoxymethyl)-3,6-dihydro-2H-pyran-6-yl]hex-2-ene-1,6-diol?
The InChIKey is FOJKBQQBVRITKY-RLRMVEOCSA-N. The full InChI is InChI=1S/C19H26O4/c20-13-6-2-5-11-18(21)19-12-7-10-17(23-19)15-22-14-16-8-3-1-4-9-16/h1-4,6-9,12,17-21H,5,10-11,13-15H2/b6-2+/t17-,18-,19+/m0/s1.
What are the key properties of (E,6S)-6-[(2S,6R)-2-(phenylmethoxymethyl)-3,6-dihydro-2H-pyran-6-yl]hex-2-ene-1,6-diol?
(E,6S)-6-[(2S,6R)-2-(phenylmethoxymethyl)-3,6-dihydro-2H-pyran-6-yl]hex-2-ene-1,6-diol has a molecular weight of 318.41 g/mol, XLogP of 2.61, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E,6S)-6-[(2S,6R)-2-(phenylmethoxymethyl)-3,6-dihydro-2H-pyran-6-yl]hex-2-ene-1,6-diol is sourced from PubChem (CID 44541660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).