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

C10H16O4 — CID 134852418

IUPAC[(3aR,4S,6R,6aS)-4-ethenyl-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methanol
SMILESC=C[C@@H]1O[C@H](CO)[C@@H]2OC(C)(C)O[C@@H]21
InChIInChI=1S/C10H16O4/c1-4-6-8-9(7(5-11)12-6)14-10(2,3)13-8/h4,6-9,11H,1,5H2,2-3H3/t6-,7+,8+,9-/m0/s1
InChIKeyHWQRXDSCAUDNLW-KDXUFGMBSA-N
MW200.23 g/mol
LogP0.45
Rot. Bonds2

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

[(3aR,4S,6R,6aS)-4-ethenyl-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methanol (PubChem CID 134852418) has the molecular formula C10H16O4 and a molecular weight of 200.23 g/mol. Its IUPAC name is [(3aR,4S,6R,6aS)-4-ethenyl-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methanol.

Molecular Properties

Compound Name[(3aR,4S,6R,6aS)-4-ethenyl-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methanol
PubChem CID134852418
Molecular FormulaC10H16O4
Molecular Weight200.23 g/mol
Exact Mass200.10
IUPAC Name[(3aR,4S,6R,6aS)-4-ethenyl-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methanol
SMILESC=C[C@@H]1O[C@H](CO)[C@@H]2OC(C)(C)O[C@@H]21
InChIInChI=1S/C10H16O4/c1-4-6-8-9(7(5-11)12-6)14-10(2,3)13-8/h4,6-9,11H,1,5H2,2-3H3/t6-,7+,8+,9-/m0/s1
InChIKeyHWQRXDSCAUDNLW-KDXUFGMBSA-N
XLogP0.45
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.23
LogP ≤ 50.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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

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Related Compounds

5,6-Dideoxy-1,2-O-isopropylidenehex-5-enofuranose
CID 111283
Gkexxsplhbskeg-kvpketbzsa-
CID 11788694
5,6-Dideoxy-1,2-O-isopropylidene-|A-D-xylo-hex-5-enofuranose
CID 10631404
(R)-1-((4R,5S)-2,2-Dimethyl-5-vinyl-1,3-dioxolan-4-yl)ethane-1,2-diol
CID 11063164
(3aR,4S,6R,6aR)-6-ethenyl-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-ol
CID 68047259
(3aR,5R,6S,6aR)-5-allyl-2,2-dimethyltetrahydrofuro[2,3-d][1,3]dioxol-6-ol
CID 89329032
1-[(4R,5S)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]ethane-1,2-diol
CID 155185118
Mannitol, 2,3:5,6-DI-O-isopropylidene-1-C-methylene-1-deoxy-
CID 538746
(1R)-1-[(3aR,5R,6S,6aR)-2,2-dimethyl-6-prop-2-enoxy-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]ethane-1,2-diol
CID 10890622
(1R)-1-[(4R,5R)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-en-1-ol
CID 10956243
(1R)-1-[(4R,5S)-5-[(1S)-1-hydroxyprop-2-enyl]-2,2-dimethyl-1,3-dioxolan-4-yl]ethane-1,2-diol
CID 11009419
(3aR,5R,6S,6aR)-2,2-dimethyl-5-[(E)-prop-1-enyl]-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-ol
CID 11084851

Frequently Asked Questions

What is the IUPAC name of [(3aR,4S,6R,6aS)-4-ethenyl-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methanol?
The IUPAC name of [(3aR,4S,6R,6aS)-4-ethenyl-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methanol (CID 134852418) is [(3aR,4S,6R,6aS)-4-ethenyl-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methanol.
What is the SMILES notation for [(3aR,4S,6R,6aS)-4-ethenyl-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methanol?
The canonical SMILES for [(3aR,4S,6R,6aS)-4-ethenyl-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methanol is C=C[C@@H]1O[C@H](CO)[C@@H]2OC(C)(C)O[C@@H]21.
What is the InChIKey of [(3aR,4S,6R,6aS)-4-ethenyl-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methanol?
The InChIKey is HWQRXDSCAUDNLW-KDXUFGMBSA-N. The full InChI is InChI=1S/C10H16O4/c1-4-6-8-9(7(5-11)12-6)14-10(2,3)13-8/h4,6-9,11H,1,5H2,2-3H3/t6-,7+,8+,9-/m0/s1.
What are the key properties of [(3aR,4S,6R,6aS)-4-ethenyl-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methanol?
[(3aR,4S,6R,6aS)-4-ethenyl-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methanol has a molecular weight of 200.23 g/mol, XLogP of 0.45, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3aR,4S,6R,6aS)-4-ethenyl-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methanol is sourced from PubChem (CID 134852418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).