[(3aS,5S,6R,6aS)-2,2-dimethyl-6-phenylmethoxy-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]methanol

C15H20O5 — CID 11818330

IUPAC[(3aS,5S,6R,6aS)-2,2-dimethyl-6-phenylmethoxy-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]methanol
SMILESCC1(C)O[C@@H]2O[C@@H](CO)[C@@H](OCc3ccccc3)[C@@H]2O1
InChIInChI=1S/C15H20O5/c1-15(2)19-13-12(11(8-16)18-14(13)20-15)17-9-10-6-4-3-5-7-10/h3-7,11-14,16H,8-9H2,1-2H3/t11-,12+,13-,14-/m0/s1
InChIKeyACGQAKYHAOEVJI-CRWXNKLISA-N
MW280.32 g/mol
LogP1.44
Rot. Bonds4

About [(3aS,5S,6R,6aS)-2,2-dimethyl-6-phenylmethoxy-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]methanol

[(3aS,5S,6R,6aS)-2,2-dimethyl-6-phenylmethoxy-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]methanol (PubChem CID 11818330) has the molecular formula C15H20O5 and a molecular weight of 280.32 g/mol. Its IUPAC name is [(3aS,5S,6R,6aS)-2,2-dimethyl-6-phenylmethoxy-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]methanol.

Molecular Properties

Compound Name[(3aS,5S,6R,6aS)-2,2-dimethyl-6-phenylmethoxy-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]methanol
PubChem CID11818330
Molecular FormulaC15H20O5
Molecular Weight280.32 g/mol
Exact Mass280.13
IUPAC Name[(3aS,5S,6R,6aS)-2,2-dimethyl-6-phenylmethoxy-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]methanol
SMILESCC1(C)O[C@@H]2O[C@@H](CO)[C@@H](OCc3ccccc3)[C@@H]2O1
InChIInChI=1S/C15H20O5/c1-15(2)19-13-12(11(8-16)18-14(13)20-15)17-9-10-6-4-3-5-7-10/h3-7,11-14,16H,8-9H2,1-2H3/t11-,12+,13-,14-/m0/s1
InChIKeyACGQAKYHAOEVJI-CRWXNKLISA-N
XLogP1.44
TPSA57.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [(3aS,5S,6R,6aS)-2,2-dimethyl-6-phenylmethoxy-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]methanol with MolForge

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Related Compounds

Icariside F2
CID 14079045
Tribenoside
CID 196122
Benzaldehyde propylene glycol acetal
CID 595928
1,3-Dioxan-5-ol, 2-phenyl-
CID 74362
Benzyl b-primeveroside
CID 14730864
Hydrangeifolin I
CID 10549806
Benzyl beta-primeveroside
CID 131248
Phenylmethyl 6-O-beta-D-glucopyranosyl-beta-D-glucopyranoside
CID 6453389
Benzyl beta-d-glucopyranoside
CID 188977
1,3-Dioxolane-4-methanol, 2-phenyl-
CID 15572
(2S,3S,4R,5R,6S)-2-[(3R,4R,5R,6S)-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)-4-phenylmethoxyoxane-3,5-diol
CID 44559130
1,3-Dioxolane-4-methanol, 2-methyl-2-phenyl-
CID 20371

Frequently Asked Questions

What is the IUPAC name of [(3aS,5S,6R,6aS)-2,2-dimethyl-6-phenylmethoxy-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]methanol?
The IUPAC name of [(3aS,5S,6R,6aS)-2,2-dimethyl-6-phenylmethoxy-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]methanol (CID 11818330) is [(3aS,5S,6R,6aS)-2,2-dimethyl-6-phenylmethoxy-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]methanol.
What is the SMILES notation for [(3aS,5S,6R,6aS)-2,2-dimethyl-6-phenylmethoxy-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]methanol?
The canonical SMILES for [(3aS,5S,6R,6aS)-2,2-dimethyl-6-phenylmethoxy-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]methanol is CC1(C)O[C@@H]2O[C@@H](CO)[C@@H](OCc3ccccc3)[C@@H]2O1.
What is the InChIKey of [(3aS,5S,6R,6aS)-2,2-dimethyl-6-phenylmethoxy-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]methanol?
The InChIKey is ACGQAKYHAOEVJI-CRWXNKLISA-N. The full InChI is InChI=1S/C15H20O5/c1-15(2)19-13-12(11(8-16)18-14(13)20-15)17-9-10-6-4-3-5-7-10/h3-7,11-14,16H,8-9H2,1-2H3/t11-,12+,13-,14-/m0/s1.
What are the key properties of [(3aS,5S,6R,6aS)-2,2-dimethyl-6-phenylmethoxy-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]methanol?
[(3aS,5S,6R,6aS)-2,2-dimethyl-6-phenylmethoxy-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]methanol has a molecular weight of 280.32 g/mol, XLogP of 1.44, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3aS,5S,6R,6aS)-2,2-dimethyl-6-phenylmethoxy-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]methanol is sourced from PubChem (CID 11818330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).