(1S)-1-[(2R,3S,6S)-6-methoxy-3-phenylmethoxyoxan-2-yl]-2-methylprop-2-en-1-ol

C17H24O4 — CID 11011793

IUPAC(1S)-1-[(2R,3S,6S)-6-methoxy-3-phenylmethoxyoxan-2-yl]-2-methylprop-2-en-1-ol
SMILESC=C(C)[C@H](O)[C@H]1O[C@H](OC)CC[C@@H]1OCc1ccccc1
InChIInChI=1S/C17H24O4/c1-12(2)16(18)17-14(9-10-15(19-3)21-17)20-11-13-7-5-4-6-8-13/h4-8,14-18H,1,9-11H2,2-3H3/t14-,15-,16-,17-/m0/s1
InChIKeyURVUXPNUWKMPGK-QAETUUGQSA-N
MW292.38 g/mol
LogP2.66
Rot. Bonds6

About (1S)-1-[(2R,3S,6S)-6-methoxy-3-phenylmethoxyoxan-2-yl]-2-methylprop-2-en-1-ol

(1S)-1-[(2R,3S,6S)-6-methoxy-3-phenylmethoxyoxan-2-yl]-2-methylprop-2-en-1-ol (PubChem CID 11011793) has the molecular formula C17H24O4 and a molecular weight of 292.38 g/mol. Its IUPAC name is (1S)-1-[(2R,3S,6S)-6-methoxy-3-phenylmethoxyoxan-2-yl]-2-methylprop-2-en-1-ol.

Molecular Properties

Compound Name(1S)-1-[(2R,3S,6S)-6-methoxy-3-phenylmethoxyoxan-2-yl]-2-methylprop-2-en-1-ol
PubChem CID11011793
Molecular FormulaC17H24O4
Molecular Weight292.38 g/mol
Exact Mass292.17
IUPAC Name(1S)-1-[(2R,3S,6S)-6-methoxy-3-phenylmethoxyoxan-2-yl]-2-methylprop-2-en-1-ol
SMILESC=C(C)[C@H](O)[C@H]1O[C@H](OC)CC[C@@H]1OCc1ccccc1
InChIInChI=1S/C17H24O4/c1-12(2)16(18)17-14(9-10-15(19-3)21-17)20-11-13-7-5-4-6-8-13/h4-8,14-18H,1,9-11H2,2-3H3/t14-,15-,16-,17-/m0/s1
InChIKeyURVUXPNUWKMPGK-QAETUUGQSA-N
XLogP2.66
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(1R,2S,3S)-2-methoxy-3-phenylmethoxycyclopentan-1-ol
CID 139810577
6-methoxy-2-methylidene-3,4-bis(phenylmethoxy)oxane
CID 20751877
[(2R,3S)-5-methoxy-3-phenylmethoxyoxolan-2-yl]methanol
CID 70448323
(2R,4S,5R)-2-methoxy-5-phenylmethoxyoxan-4-ol
CID 11746679
(1R)-1-[(2S,3R,5S)-3,6-dimethoxy-5-phenylmethoxyoxan-2-yl]prop-2-en-1-ol
CID 170851181
methyl (2R)-2-[(2R,3S,6S)-6-methyl-3-phenylmethoxyoxan-2-yl]propanoate
CID 25180523
(2R,3R,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-2-(phenylmethoxymethyl)-6-prop-1-en-2-yloxyoxane
CID 11330690
(1R,6R,8S)-4-methoxy-8-phenylmethoxy-5,11,12-trioxatricyclo[7.2.1.01,6]dodecane
CID 154479665
(2R,3R,4S,5S)-7-methoxy-3,4,5-tris(phenylmethoxy)-2-(phenylmethoxymethyl)oxepane
CID 58940191
1-[(2R,3S,6R)-6-methyl-3-phenylmethoxyoxan-2-yl]propan-2-one
CID 11032697
(1S,2S,4R,5R)-2,4-bis(phenylmethoxy)-8-oxabicyclo[3.2.1]octane
CID 71725331
[(2R,3R,4S,6S)-3-acetyloxy-6-methoxy-4-phenylmethoxyoxan-2-yl]methyl acetate
CID 70364158

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[(2R,3S,6S)-6-methoxy-3-phenylmethoxyoxan-2-yl]-2-methylprop-2-en-1-ol?
The IUPAC name of (1S)-1-[(2R,3S,6S)-6-methoxy-3-phenylmethoxyoxan-2-yl]-2-methylprop-2-en-1-ol (CID 11011793) is (1S)-1-[(2R,3S,6S)-6-methoxy-3-phenylmethoxyoxan-2-yl]-2-methylprop-2-en-1-ol.
What is the SMILES notation for (1S)-1-[(2R,3S,6S)-6-methoxy-3-phenylmethoxyoxan-2-yl]-2-methylprop-2-en-1-ol?
The canonical SMILES for (1S)-1-[(2R,3S,6S)-6-methoxy-3-phenylmethoxyoxan-2-yl]-2-methylprop-2-en-1-ol is C=C(C)[C@H](O)[C@H]1O[C@H](OC)CC[C@@H]1OCc1ccccc1.
What is the InChIKey of (1S)-1-[(2R,3S,6S)-6-methoxy-3-phenylmethoxyoxan-2-yl]-2-methylprop-2-en-1-ol?
The InChIKey is URVUXPNUWKMPGK-QAETUUGQSA-N. The full InChI is InChI=1S/C17H24O4/c1-12(2)16(18)17-14(9-10-15(19-3)21-17)20-11-13-7-5-4-6-8-13/h4-8,14-18H,1,9-11H2,2-3H3/t14-,15-,16-,17-/m0/s1.
What are the key properties of (1S)-1-[(2R,3S,6S)-6-methoxy-3-phenylmethoxyoxan-2-yl]-2-methylprop-2-en-1-ol?
(1S)-1-[(2R,3S,6S)-6-methoxy-3-phenylmethoxyoxan-2-yl]-2-methylprop-2-en-1-ol has a molecular weight of 292.38 g/mol, XLogP of 2.66, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[(2R,3S,6S)-6-methoxy-3-phenylmethoxyoxan-2-yl]-2-methylprop-2-en-1-ol is sourced from PubChem (CID 11011793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).