[(3aR,4S,6R,6aR)-6-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydro-3H-furo[2,3-c]furan-4-yl]methanol

C10H18O4 — CID 134233370

IUPAC[(3aR,4S,6R,6aR)-6-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydro-3H-furo[2,3-c]furan-4-yl]methanol
SMILESCO[C@@H]1O[C@H](CO)[C@H]2CC(C)(C)O[C@@H]12
InChIInChI=1S/C10H18O4/c1-10(2)4-6-7(5-11)13-9(12-3)8(6)14-10/h6-9,11H,4-5H2,1-3H3/t6-,7-,8-,9-/m1/s1
InChIKeyCDMULHYAWGZCKV-FNCVBFRFSA-N
MW202.25 g/mol
LogP0.53
Rot. Bonds2

About [(3aR,4S,6R,6aR)-6-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydro-3H-furo[2,3-c]furan-4-yl]methanol

[(3aR,4S,6R,6aR)-6-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydro-3H-furo[2,3-c]furan-4-yl]methanol (PubChem CID 134233370) has the molecular formula C10H18O4 and a molecular weight of 202.25 g/mol. Its IUPAC name is [(3aR,4S,6R,6aR)-6-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydro-3H-furo[2,3-c]furan-4-yl]methanol.

Molecular Properties

Compound Name[(3aR,4S,6R,6aR)-6-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydro-3H-furo[2,3-c]furan-4-yl]methanol
PubChem CID134233370
Molecular FormulaC10H18O4
Molecular Weight202.25 g/mol
Exact Mass202.12
IUPAC Name[(3aR,4S,6R,6aR)-6-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydro-3H-furo[2,3-c]furan-4-yl]methanol
SMILESCO[C@@H]1O[C@H](CO)[C@H]2CC(C)(C)O[C@@H]12
InChIInChI=1S/C10H18O4/c1-10(2)4-6-7(5-11)13-9(12-3)8(6)14-10/h6-9,11H,4-5H2,1-3H3/t6-,7-,8-,9-/m1/s1
InChIKeyCDMULHYAWGZCKV-FNCVBFRFSA-N
XLogP0.53
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [(3aR,4S,6R,6aR)-6-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydro-3H-furo[2,3-c]furan-4-yl]methanol with MolForge

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Related Compounds

[(3aS,6R,6aS)-4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methanol
CID 12696595
[(3aR,4R,6aR)-4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methanol
CID 129137009
[(4R)-4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methanol
CID 123304821
[(1R,2R,4R,5R)-4-methoxy-3,6-dioxabicyclo[3.1.0]hexan-2-yl]methanol
CID 11147798
[(1S,2S,4R,5R)-4-methoxy-3,6-dioxabicyclo[3.1.0]hexan-2-yl]methanol
CID 98058853
[(1S,2R,4R,5R)-4-methoxy-3,6-dioxabicyclo[3.1.0]hexan-2-yl]methanol
CID 124541021
[(2S,3S,5R,6R)-3-(hydroxymethyl)-5,6-dimethoxy-1,4-dioxan-2-yl]methanol
CID 166639551
(3aR,8R)-7-(hydroxymethyl)-5-methoxy-2,2-dimethyl-3a,4,5,7,8,8a-hexahydro-[1,3]dioxolo[4,5-d]oxepine-4,8-diol
CID 71171830
(2S,3S,4aR,5R,7S,8R,8aR)-5-(hydroxymethyl)-2,3,7-trimethoxy-2,3-dimethyl-5,7,8,8a-tetrahydro-4aH-pyrano[3,4-b][1,4]dioxin-8-ol
CID 10828595
5-(hydroxymethyl)-2,2-dimethyl-3,3a,5,6,7,7a-hexahydrofuro[3,2-b]pyran-6,7-diol
CID 138640825
(2S,3S,4S)-2-(hydroxymethyl)-5-methoxyoxolane-3,4-diol
CID 12042993
(2R,3R,4S,5S)-2-(hydroxymethyl)-5-methoxyoxolane-3,4-diol
CID 12889250

Frequently Asked Questions

What is the IUPAC name of [(3aR,4S,6R,6aR)-6-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydro-3H-furo[2,3-c]furan-4-yl]methanol?
The IUPAC name of [(3aR,4S,6R,6aR)-6-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydro-3H-furo[2,3-c]furan-4-yl]methanol (CID 134233370) is [(3aR,4S,6R,6aR)-6-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydro-3H-furo[2,3-c]furan-4-yl]methanol.
What is the SMILES notation for [(3aR,4S,6R,6aR)-6-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydro-3H-furo[2,3-c]furan-4-yl]methanol?
The canonical SMILES for [(3aR,4S,6R,6aR)-6-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydro-3H-furo[2,3-c]furan-4-yl]methanol is CO[C@@H]1O[C@H](CO)[C@H]2CC(C)(C)O[C@@H]12.
What is the InChIKey of [(3aR,4S,6R,6aR)-6-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydro-3H-furo[2,3-c]furan-4-yl]methanol?
The InChIKey is CDMULHYAWGZCKV-FNCVBFRFSA-N. The full InChI is InChI=1S/C10H18O4/c1-10(2)4-6-7(5-11)13-9(12-3)8(6)14-10/h6-9,11H,4-5H2,1-3H3/t6-,7-,8-,9-/m1/s1.
What are the key properties of [(3aR,4S,6R,6aR)-6-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydro-3H-furo[2,3-c]furan-4-yl]methanol?
[(3aR,4S,6R,6aR)-6-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydro-3H-furo[2,3-c]furan-4-yl]methanol has a molecular weight of 202.25 g/mol, XLogP of 0.53, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3aR,4S,6R,6aR)-6-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydro-3H-furo[2,3-c]furan-4-yl]methanol is sourced from PubChem (CID 134233370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).