[(3aR,5R,6aR)-6-methoxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]methanol

C9H16O5 — CID 90136238

IUPAC[(3aR,5R,6aR)-6-methoxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]methanol
SMILESCOC1[C@H]2OC(C)(C)O[C@H]2O[C@@H]1CO
InChIInChI=1S/C9H16O5/c1-9(2)13-7-6(11-3)5(4-10)12-8(7)14-9/h5-8,10H,4H2,1-3H3/t5-,6?,7-,8-/m1/s1
InChIKeyRQRJFIDLNKRBQB-NIVRMLGLSA-N
MW204.22 g/mol
LogP-0.13
Rot. Bonds2

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

[(3aR,5R,6aR)-6-methoxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]methanol (PubChem CID 90136238) has the molecular formula C9H16O5 and a molecular weight of 204.22 g/mol. Its IUPAC name is [(3aR,5R,6aR)-6-methoxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]methanol.

Molecular Properties

Compound Name[(3aR,5R,6aR)-6-methoxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]methanol
PubChem CID90136238
Molecular FormulaC9H16O5
Molecular Weight204.22 g/mol
Exact Mass204.10
IUPAC Name[(3aR,5R,6aR)-6-methoxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]methanol
SMILESCOC1[C@H]2OC(C)(C)O[C@H]2O[C@@H]1CO
InChIInChI=1S/C9H16O5/c1-9(2)13-7-6(11-3)5(4-10)12-8(7)14-9/h5-8,10H,4H2,1-3H3/t5-,6?,7-,8-/m1/s1
InChIKeyRQRJFIDLNKRBQB-NIVRMLGLSA-N
XLogP-0.13
TPSA57.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.22
LogP ≤ 5-0.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

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Related Compounds

alpha-D-Glucofuranose, 1,2:5,6-bis-O-(1-methylethylidene)-
CID 2723618
1,2-O-isopropylidene-alpha-D-xylofuranose
CID 88338
Seprilose
CID 60818
Methyl 5-deoxy-2,3-O-isopropylidene-beta-D-ribofuranoside
CID 90028
Diacetone-D-glucose
CID 7067560
alpha-D-Arabinofuranoside, methyl
CID 11389582
beta-D-Ribofuranoside, methyl
CID 255320
alpha-D-Xylofuranoside, methyl
CID 11147907
alpha-D-Ribofuranoside, methyl
CID 12889245
1,2-O-Isopropylidene-alpha-D-glucofuranose
CID 87704
1,2,5,6-Di-O-isopropylidene-alpha-D-allofuranose
CID 2724706
Methyl beta-D-ribofuranoside
CID 81983

Frequently Asked Questions

What is the IUPAC name of [(3aR,5R,6aR)-6-methoxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]methanol?
The IUPAC name of [(3aR,5R,6aR)-6-methoxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]methanol (CID 90136238) is [(3aR,5R,6aR)-6-methoxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]methanol.
What is the SMILES notation for [(3aR,5R,6aR)-6-methoxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]methanol?
The canonical SMILES for [(3aR,5R,6aR)-6-methoxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]methanol is COC1[C@H]2OC(C)(C)O[C@H]2O[C@@H]1CO.
What is the InChIKey of [(3aR,5R,6aR)-6-methoxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]methanol?
The InChIKey is RQRJFIDLNKRBQB-NIVRMLGLSA-N. The full InChI is InChI=1S/C9H16O5/c1-9(2)13-7-6(11-3)5(4-10)12-8(7)14-9/h5-8,10H,4H2,1-3H3/t5-,6?,7-,8-/m1/s1.
What are the key properties of [(3aR,5R,6aR)-6-methoxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]methanol?
[(3aR,5R,6aR)-6-methoxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]methanol has a molecular weight of 204.22 g/mol, XLogP of -0.13, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3aR,5R,6aR)-6-methoxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]methanol is sourced from PubChem (CID 90136238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).