(2R,3S,5R,6S)-3-methoxy-2-(methoxymethyl)-5-phenylmethoxy-6-prop-2-enyloxane

C18H26O4 — CID 11771197

IUPAC(2R,3S,5R,6S)-3-methoxy-2-(methoxymethyl)-5-phenylmethoxy-6-prop-2-enyloxane
SMILESC=CC[C@@H]1O[C@H](COC)[C@@H](OC)C[C@H]1OCc1ccccc1
InChIInChI=1S/C18H26O4/c1-4-8-15-17(21-12-14-9-6-5-7-10-14)11-16(20-3)18(22-15)13-19-2/h4-7,9-10,15-18H,1,8,11-13H2,2-3H3/t15-,16-,17+,18+/m0/s1
InChIKeyYNCVUROSYBDTIU-WNRNVDISSA-N
MW306.40 g/mol
LogP2.97
Rot. Bonds8

About (2R,3S,5R,6S)-3-methoxy-2-(methoxymethyl)-5-phenylmethoxy-6-prop-2-enyloxane

(2R,3S,5R,6S)-3-methoxy-2-(methoxymethyl)-5-phenylmethoxy-6-prop-2-enyloxane (PubChem CID 11771197) has the molecular formula C18H26O4 and a molecular weight of 306.40 g/mol. Its IUPAC name is (2R,3S,5R,6S)-3-methoxy-2-(methoxymethyl)-5-phenylmethoxy-6-prop-2-enyloxane.

Molecular Properties

Compound Name(2R,3S,5R,6S)-3-methoxy-2-(methoxymethyl)-5-phenylmethoxy-6-prop-2-enyloxane
PubChem CID11771197
Molecular FormulaC18H26O4
Molecular Weight306.40 g/mol
Exact Mass306.18
IUPAC Name(2R,3S,5R,6S)-3-methoxy-2-(methoxymethyl)-5-phenylmethoxy-6-prop-2-enyloxane
SMILESC=CC[C@@H]1O[C@H](COC)[C@@H](OC)C[C@H]1OCc1ccccc1
InChIInChI=1S/C18H26O4/c1-4-8-15-17(21-12-14-9-6-5-7-10-14)11-16(20-3)18(22-15)13-19-2/h4-7,9-10,15-18H,1,8,11-13H2,2-3H3/t15-,16-,17+,18+/m0/s1
InChIKeyYNCVUROSYBDTIU-WNRNVDISSA-N
XLogP2.97
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.40
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2R,3S,5R)-5-ethenyl-3-phenylmethoxy-2-(phenylmethoxymethyl)oxolane
CID 11771686
[(2R,3S,5R,6S)-3-(2,2-dimethylpropanoyloxy)-5-phenylmethoxy-6-prop-2-enyloxan-2-yl]methyl 2,2-dimethylpropanoate
CID 11316787
(2R,3R,4S,5R)-3,4-bis(phenylmethoxy)-2-(phenylmethoxymethyl)-5-prop-2-enyloxolane
CID 11048522
(2R,3R,4R,6R)-3,4-bis(phenylmethoxy)-2-(phenylmethoxymethyl)-6-prop-2-enyloxane
CID 132544102
[(1R,2R)-2-methoxycyclopropyl]oxymethylbenzene
CID 163224715
(2R,4R,5R)-4-phenylmethoxy-5-(phenylmethoxymethyl)oxolane-2-carbaldehyde
CID 134841401
(2S,3R,4R,5S,6R)-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)-2-prop-2-enyloxan-3-amine
CID 10838227
(2S,3R,4R,5R)-2-methoxy-4-phenylmethoxy-5-(phenylmethoxymethyl)-3-prop-2-enyloxolane
CID 166519075
tert-butyl-dimethyl-[[(2R,3R,4R,5S,6R)-3,4,5-tris(phenylmethoxy)-6-prop-2-enyloxan-2-yl]methoxy]silane
CID 72723984
(2S,3S,4S,5R,6R)-2-methoxy-6-(methoxymethyl)-3,4,5-tris(phenylmethoxy)oxane
CID 67155731
(2S,3S,5R,6S)-2-(iodomethyl)-6-methoxy-3,5-bis(phenylmethoxy)oxane
CID 10917646
(2S,3S,4S,5R,6S)-6-methoxy-4,5-bis(phenylmethoxy)-2-prop-2-enyloxan-3-ol
CID 102372231

Frequently Asked Questions

What is the IUPAC name of (2R,3S,5R,6S)-3-methoxy-2-(methoxymethyl)-5-phenylmethoxy-6-prop-2-enyloxane?
The IUPAC name of (2R,3S,5R,6S)-3-methoxy-2-(methoxymethyl)-5-phenylmethoxy-6-prop-2-enyloxane (CID 11771197) is (2R,3S,5R,6S)-3-methoxy-2-(methoxymethyl)-5-phenylmethoxy-6-prop-2-enyloxane.
What is the SMILES notation for (2R,3S,5R,6S)-3-methoxy-2-(methoxymethyl)-5-phenylmethoxy-6-prop-2-enyloxane?
The canonical SMILES for (2R,3S,5R,6S)-3-methoxy-2-(methoxymethyl)-5-phenylmethoxy-6-prop-2-enyloxane is C=CC[C@@H]1O[C@H](COC)[C@@H](OC)C[C@H]1OCc1ccccc1.
What is the InChIKey of (2R,3S,5R,6S)-3-methoxy-2-(methoxymethyl)-5-phenylmethoxy-6-prop-2-enyloxane?
The InChIKey is YNCVUROSYBDTIU-WNRNVDISSA-N. The full InChI is InChI=1S/C18H26O4/c1-4-8-15-17(21-12-14-9-6-5-7-10-14)11-16(20-3)18(22-15)13-19-2/h4-7,9-10,15-18H,1,8,11-13H2,2-3H3/t15-,16-,17+,18+/m0/s1.
What are the key properties of (2R,3S,5R,6S)-3-methoxy-2-(methoxymethyl)-5-phenylmethoxy-6-prop-2-enyloxane?
(2R,3S,5R,6S)-3-methoxy-2-(methoxymethyl)-5-phenylmethoxy-6-prop-2-enyloxane has a molecular weight of 306.40 g/mol, XLogP of 2.97, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,5R,6S)-3-methoxy-2-(methoxymethyl)-5-phenylmethoxy-6-prop-2-enyloxane is sourced from PubChem (CID 11771197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).