(2S,3R,4S,6S)-2-methoxy-3,4-bis(prop-2-enoxy)-6-(prop-2-enoxymethyl)oxane

C16H26O5 — CID 146018804

IUPAC(2S,3R,4S,6S)-2-methoxy-3,4-bis(prop-2-enoxy)-6-(prop-2-enoxymethyl)oxane
SMILESC=CCOC[C@@H]1C[C@H](OCC=C)[C@@H](OCC=C)[C@@H](OC)O1
InChIInChI=1S/C16H26O5/c1-5-8-18-12-13-11-14(19-9-6-2)15(20-10-7-3)16(17-4)21-13/h5-7,13-16H,1-3,8-12H2,4H3/t13-,14-,15+,16-/m0/s1
InChIKeyWLFQTGBIPCZYGZ-JONQDZQNSA-N
MW298.38 g/mol
LogP2.09
Rot. Bonds11

About (2S,3R,4S,6S)-2-methoxy-3,4-bis(prop-2-enoxy)-6-(prop-2-enoxymethyl)oxane

(2S,3R,4S,6S)-2-methoxy-3,4-bis(prop-2-enoxy)-6-(prop-2-enoxymethyl)oxane (PubChem CID 146018804) has the molecular formula C16H26O5 and a molecular weight of 298.38 g/mol. Its IUPAC name is (2S,3R,4S,6S)-2-methoxy-3,4-bis(prop-2-enoxy)-6-(prop-2-enoxymethyl)oxane.

Molecular Properties

Compound Name(2S,3R,4S,6S)-2-methoxy-3,4-bis(prop-2-enoxy)-6-(prop-2-enoxymethyl)oxane
PubChem CID146018804
Molecular FormulaC16H26O5
Molecular Weight298.38 g/mol
Exact Mass298.18
IUPAC Name(2S,3R,4S,6S)-2-methoxy-3,4-bis(prop-2-enoxy)-6-(prop-2-enoxymethyl)oxane
SMILESC=CCOC[C@@H]1C[C@H](OCC=C)[C@@H](OCC=C)[C@@H](OC)O1
InChIInChI=1S/C16H26O5/c1-5-8-18-12-13-11-14(19-9-6-2)15(20-10-7-3)16(17-4)21-13/h5-7,13-16H,1-3,8-12H2,4H3/t13-,14-,15+,16-/m0/s1
InChIKeyWLFQTGBIPCZYGZ-JONQDZQNSA-N
XLogP2.09
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.38
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (2S,3R,4S,6S)-2-methoxy-3,4-bis(prop-2-enoxy)-6-(prop-2-enoxymethyl)oxane 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

Acetic acid, 3,5-diacetoxy-2-acetoxymethyl-6-allyloxytetrahydropyran-4-yl ester
CID 539900
Allyl galactopyranoside
CID 151026
prop-2-en-1-yl 4-O-methyl-alpha-D-mannopyranoside
CID 124222715
(2R,3R,4S,5R,6R)-2-(Allyloxy)-6-(hydroxymethyl)tetrahydro-2H-pyran-3,4,5-triol
CID 11020396
Allyl alpha-D-mannopyranoside
CID 11183597
Allyl-beta-D-glucopyranoside
CID 11736138
(2-Methoxy-6-methyl-5-prop-2-enoxy-3-sulfooxyoxan-4-yl) hydrogen sulfate
CID 44291889
(2R,3R,4S,5S,6R)-2-[(2E,8Z)-deca-2,8-dien-4,6-diynoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
CID 56965053
(2R,3R,4S,5S,6R)-2-deca-2,8-dien-4,6-diynoxy-6-(hydroxymethyl)oxane-3,4,5-triol
CID 162868037
alpha-D-Glucopyranose, O-2-propenyl-
CID 10878666
2-(Hydroxymethyl)-6-prop-2-enoxyoxane-3,4,5-triol
CID 346062
Ally a-D-galactopyranoside
CID 2735272

Frequently Asked Questions

What is the IUPAC name of (2S,3R,4S,6S)-2-methoxy-3,4-bis(prop-2-enoxy)-6-(prop-2-enoxymethyl)oxane?
The IUPAC name of (2S,3R,4S,6S)-2-methoxy-3,4-bis(prop-2-enoxy)-6-(prop-2-enoxymethyl)oxane (CID 146018804) is (2S,3R,4S,6S)-2-methoxy-3,4-bis(prop-2-enoxy)-6-(prop-2-enoxymethyl)oxane.
What is the SMILES notation for (2S,3R,4S,6S)-2-methoxy-3,4-bis(prop-2-enoxy)-6-(prop-2-enoxymethyl)oxane?
The canonical SMILES for (2S,3R,4S,6S)-2-methoxy-3,4-bis(prop-2-enoxy)-6-(prop-2-enoxymethyl)oxane is C=CCOC[C@@H]1C[C@H](OCC=C)[C@@H](OCC=C)[C@@H](OC)O1.
What is the InChIKey of (2S,3R,4S,6S)-2-methoxy-3,4-bis(prop-2-enoxy)-6-(prop-2-enoxymethyl)oxane?
The InChIKey is WLFQTGBIPCZYGZ-JONQDZQNSA-N. The full InChI is InChI=1S/C16H26O5/c1-5-8-18-12-13-11-14(19-9-6-2)15(20-10-7-3)16(17-4)21-13/h5-7,13-16H,1-3,8-12H2,4H3/t13-,14-,15+,16-/m0/s1.
What are the key properties of (2S,3R,4S,6S)-2-methoxy-3,4-bis(prop-2-enoxy)-6-(prop-2-enoxymethyl)oxane?
(2S,3R,4S,6S)-2-methoxy-3,4-bis(prop-2-enoxy)-6-(prop-2-enoxymethyl)oxane has a molecular weight of 298.38 g/mol, XLogP of 2.09, 11 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R,4S,6S)-2-methoxy-3,4-bis(prop-2-enoxy)-6-(prop-2-enoxymethyl)oxane is sourced from PubChem (CID 146018804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).