[2-[(E)-2-[(3aR,4R,6S,6aS)-2,2,6-trimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]ethenyl]-6-methoxyphenyl]methanol

C18H24O5 — CID 10925247

IUPAC[2-[(E)-2-[(3aR,4R,6S,6aS)-2,2,6-trimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]ethenyl]-6-methoxyphenyl]methanol
SMILESCOc1cccc(/C=C/[C@H]2O[C@@H](C)[C@@H]3OC(C)(C)O[C@@H]32)c1CO
InChIInChI=1S/C18H24O5/c1-11-16-17(23-18(2,3)22-16)15(21-11)9-8-12-6-5-7-14(20-4)13(12)10-19/h5-9,11,15-17,19H,10H2,1-4H3/b9-8+/t11-,15+,16-,17+/m0/s1
InChIKeyVWBHJSCNRRFBFS-SCZBPKQMSA-N
MW320.39 g/mol
LogP2.51
Rot. Bonds4

About [2-[(E)-2-[(3aR,4R,6S,6aS)-2,2,6-trimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]ethenyl]-6-methoxyphenyl]methanol

[2-[(E)-2-[(3aR,4R,6S,6aS)-2,2,6-trimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]ethenyl]-6-methoxyphenyl]methanol (PubChem CID 10925247) has the molecular formula C18H24O5 and a molecular weight of 320.39 g/mol. Its IUPAC name is [2-[(E)-2-[(3aR,4R,6S,6aS)-2,2,6-trimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]ethenyl]-6-methoxyphenyl]methanol.

Molecular Properties

Compound Name[2-[(E)-2-[(3aR,4R,6S,6aS)-2,2,6-trimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]ethenyl]-6-methoxyphenyl]methanol
PubChem CID10925247
Molecular FormulaC18H24O5
Molecular Weight320.39 g/mol
Exact Mass320.16
IUPAC Name[2-[(E)-2-[(3aR,4R,6S,6aS)-2,2,6-trimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]ethenyl]-6-methoxyphenyl]methanol
SMILESCOc1cccc(/C=C/[C@H]2O[C@@H](C)[C@@H]3OC(C)(C)O[C@@H]32)c1CO
InChIInChI=1S/C18H24O5/c1-11-16-17(23-18(2,3)22-16)15(21-11)9-8-12-6-5-7-14(20-4)13(12)10-19/h5-9,11,15-17,19H,10H2,1-4H3/b9-8+/t11-,15+,16-,17+/m0/s1
InChIKeyVWBHJSCNRRFBFS-SCZBPKQMSA-N
XLogP2.51
TPSA57.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [2-[(E)-2-[(3aR,4R,6S,6aS)-2,2,6-trimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]ethenyl]-6-methoxyphenyl]methanol with MolForge

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Frequently Asked Questions

What is the IUPAC name of [2-[(E)-2-[(3aR,4R,6S,6aS)-2,2,6-trimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]ethenyl]-6-methoxyphenyl]methanol?
The IUPAC name of [2-[(E)-2-[(3aR,4R,6S,6aS)-2,2,6-trimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]ethenyl]-6-methoxyphenyl]methanol (CID 10925247) is [2-[(E)-2-[(3aR,4R,6S,6aS)-2,2,6-trimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]ethenyl]-6-methoxyphenyl]methanol.
What is the SMILES notation for [2-[(E)-2-[(3aR,4R,6S,6aS)-2,2,6-trimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]ethenyl]-6-methoxyphenyl]methanol?
The canonical SMILES for [2-[(E)-2-[(3aR,4R,6S,6aS)-2,2,6-trimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]ethenyl]-6-methoxyphenyl]methanol is COc1cccc(/C=C/[C@H]2O[C@@H](C)[C@@H]3OC(C)(C)O[C@@H]32)c1CO.
What is the InChIKey of [2-[(E)-2-[(3aR,4R,6S,6aS)-2,2,6-trimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]ethenyl]-6-methoxyphenyl]methanol?
The InChIKey is VWBHJSCNRRFBFS-SCZBPKQMSA-N. The full InChI is InChI=1S/C18H24O5/c1-11-16-17(23-18(2,3)22-16)15(21-11)9-8-12-6-5-7-14(20-4)13(12)10-19/h5-9,11,15-17,19H,10H2,1-4H3/b9-8+/t11-,15+,16-,17+/m0/s1.
What are the key properties of [2-[(E)-2-[(3aR,4R,6S,6aS)-2,2,6-trimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]ethenyl]-6-methoxyphenyl]methanol?
[2-[(E)-2-[(3aR,4R,6S,6aS)-2,2,6-trimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]ethenyl]-6-methoxyphenyl]methanol has a molecular weight of 320.39 g/mol, XLogP of 2.51, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(E)-2-[(3aR,4R,6S,6aS)-2,2,6-trimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]ethenyl]-6-methoxyphenyl]methanol is sourced from PubChem (CID 10925247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).