(2S,4S,6S)-6-ethenyl-2-methoxy-4-[(4-methoxyphenyl)methoxy]-3,3-dimethyloxane

C18H26O4 — CID 11974076

IUPAC(2S,4S,6S)-6-ethenyl-2-methoxy-4-[(4-methoxyphenyl)methoxy]-3,3-dimethyloxane
SMILESC=C[C@@H]1C[C@H](OCc2ccc(OC)cc2)C(C)(C)[C@@H](OC)O1
InChIInChI=1S/C18H26O4/c1-6-14-11-16(18(2,3)17(20-5)22-14)21-12-13-7-9-15(19-4)10-8-13/h6-10,14,16-17H,1,11-12H2,2-5H3/t14-,16+,17+/m1/s1
InChIKeyGDRSPTIQTOJTPA-PVAVHDDUSA-N
MW306.40 g/mol
LogP3.55
Rot. Bonds6

About (2S,4S,6S)-6-ethenyl-2-methoxy-4-[(4-methoxyphenyl)methoxy]-3,3-dimethyloxane

(2S,4S,6S)-6-ethenyl-2-methoxy-4-[(4-methoxyphenyl)methoxy]-3,3-dimethyloxane (PubChem CID 11974076) has the molecular formula C18H26O4 and a molecular weight of 306.40 g/mol. Its IUPAC name is (2S,4S,6S)-6-ethenyl-2-methoxy-4-[(4-methoxyphenyl)methoxy]-3,3-dimethyloxane.

Molecular Properties

Compound Name(2S,4S,6S)-6-ethenyl-2-methoxy-4-[(4-methoxyphenyl)methoxy]-3,3-dimethyloxane
PubChem CID11974076
Molecular FormulaC18H26O4
Molecular Weight306.40 g/mol
Exact Mass306.18
IUPAC Name(2S,4S,6S)-6-ethenyl-2-methoxy-4-[(4-methoxyphenyl)methoxy]-3,3-dimethyloxane
SMILESC=C[C@@H]1C[C@H](OCc2ccc(OC)cc2)C(C)(C)[C@@H](OC)O1
InChIInChI=1S/C18H26O4/c1-6-14-11-16(18(2,3)17(20-5)22-14)21-12-13-7-9-15(19-4)10-8-13/h6-10,14,16-17H,1,11-12H2,2-5H3/t14-,16+,17+/m1/s1
InChIKeyGDRSPTIQTOJTPA-PVAVHDDUSA-N
XLogP3.55
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.40
LogP ≤ 53.55
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

(3aS,4S,5S,6S,7S,7aR)-5,6-bis[(4-methoxyphenyl)methoxy]-2,2-dimethyl-4,7-bis(prop-2-enoxy)-3a,4,5,6,7,7a-hexahydro-1,3-benzodioxole
CID 10602538
(2S,4R)-4-ethenyl-2-[(4-methoxyphenyl)methyl]-5,5-dimethyl-1,3-dioxane
CID 101132756
2-ethyl-3-[(4-methoxyphenyl)methoxy]-2-methylcyclobutan-1-one
CID 66367851
(4S,5R)-5-ethenyl-2-methoxy-3,3-dimethyl-4-phenylmethoxyoxolane
CID 102188861
1-methoxy-4-[[(1S,2R,3R,4S,5S,6R)-2,3,6-tris(phenylmethoxy)-4,5-bis(prop-2-enoxy)cyclohexyl]oxymethyl]benzene
CID 11966709
1-methoxy-4-[[(1R,2R,3S,4S,5R,6S)-2,4,5-tris(phenylmethoxy)-3,6-bis(prop-2-enoxy)cyclohexyl]oxymethyl]benzene
CID 10604284
1-[(3-bromo-2-ethyl-2-methylcyclobutyl)oxymethyl]-4-methoxybenzene
CID 66345113
6-[(4-methoxyphenyl)methoxy]-7,7-dimethylcyclohept-3-en-1-ol
CID 162420333
3-[(4-methoxyphenyl)methoxy]cyclobutane-1-carbaldehyde
CID 118050407
(1S,2R,3R,4S,5S,6R)-3-[(4-methoxyphenyl)methoxy]-4,5,6-tris(prop-2-enoxy)cyclohexane-1,2-diol
CID 10502229
(2S,3S,4R,5R,6R)-2-ethenyl-3-[(4-methoxyphenyl)methoxy]-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxane
CID 25169660
(3aS,4S,5R,6S,7S,7aR)-5-[(4-methoxyphenyl)methoxy]-4,6,7-tris(prop-2-enoxy)spiro[3a,4,5,6,7,7a-hexahydro-1,3-benzodioxole-2,1'-cyclohexane]
CID 10553454

Frequently Asked Questions

What is the IUPAC name of (2S,4S,6S)-6-ethenyl-2-methoxy-4-[(4-methoxyphenyl)methoxy]-3,3-dimethyloxane?
The IUPAC name of (2S,4S,6S)-6-ethenyl-2-methoxy-4-[(4-methoxyphenyl)methoxy]-3,3-dimethyloxane (CID 11974076) is (2S,4S,6S)-6-ethenyl-2-methoxy-4-[(4-methoxyphenyl)methoxy]-3,3-dimethyloxane.
What is the SMILES notation for (2S,4S,6S)-6-ethenyl-2-methoxy-4-[(4-methoxyphenyl)methoxy]-3,3-dimethyloxane?
The canonical SMILES for (2S,4S,6S)-6-ethenyl-2-methoxy-4-[(4-methoxyphenyl)methoxy]-3,3-dimethyloxane is C=C[C@@H]1C[C@H](OCc2ccc(OC)cc2)C(C)(C)[C@@H](OC)O1.
What is the InChIKey of (2S,4S,6S)-6-ethenyl-2-methoxy-4-[(4-methoxyphenyl)methoxy]-3,3-dimethyloxane?
The InChIKey is GDRSPTIQTOJTPA-PVAVHDDUSA-N. The full InChI is InChI=1S/C18H26O4/c1-6-14-11-16(18(2,3)17(20-5)22-14)21-12-13-7-9-15(19-4)10-8-13/h6-10,14,16-17H,1,11-12H2,2-5H3/t14-,16+,17+/m1/s1.
What are the key properties of (2S,4S,6S)-6-ethenyl-2-methoxy-4-[(4-methoxyphenyl)methoxy]-3,3-dimethyloxane?
(2S,4S,6S)-6-ethenyl-2-methoxy-4-[(4-methoxyphenyl)methoxy]-3,3-dimethyloxane has a molecular weight of 306.40 g/mol, XLogP of 3.55, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S,6S)-6-ethenyl-2-methoxy-4-[(4-methoxyphenyl)methoxy]-3,3-dimethyloxane is sourced from PubChem (CID 11974076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).