(E)-3-[(3aR,4R,6R,6aR)-4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]prop-2-en-1-ol

C11H18O5 — CID 10585534

IUPAC(E)-3-[(3aR,4R,6R,6aR)-4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]prop-2-en-1-ol
SMILESCO[C@@H]1O[C@H](/C=C/CO)[C@H]2OC(C)(C)O[C@@H]12
InChIInChI=1S/C11H18O5/c1-11(2)15-8-7(5-4-6-12)14-10(13-3)9(8)16-11/h4-5,7-10,12H,6H2,1-3H3/b5-4+/t7-,8-,9-,10-/m1/s1
InChIKeyQMDJLQIIQVTIHW-FUGMZQJXSA-N
MW230.26 g/mol
LogP0.43
Rot. Bonds3

About (E)-3-[(3aR,4R,6R,6aR)-4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]prop-2-en-1-ol

(E)-3-[(3aR,4R,6R,6aR)-4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]prop-2-en-1-ol (PubChem CID 10585534) has the molecular formula C11H18O5 and a molecular weight of 230.26 g/mol. Its IUPAC name is (E)-3-[(3aR,4R,6R,6aR)-4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]prop-2-en-1-ol.

Molecular Properties

Compound Name(E)-3-[(3aR,4R,6R,6aR)-4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]prop-2-en-1-ol
PubChem CID10585534
Molecular FormulaC11H18O5
Molecular Weight230.26 g/mol
Exact Mass230.12
IUPAC Name(E)-3-[(3aR,4R,6R,6aR)-4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]prop-2-en-1-ol
SMILESCO[C@@H]1O[C@H](/C=C/CO)[C@H]2OC(C)(C)O[C@@H]12
InChIInChI=1S/C11H18O5/c1-11(2)15-8-7(5-4-6-12)14-10(13-3)9(8)16-11/h4-5,7-10,12H,6H2,1-3H3/b5-4+/t7-,8-,9-,10-/m1/s1
InChIKeyQMDJLQIIQVTIHW-FUGMZQJXSA-N
XLogP0.43
TPSA57.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.26
LogP ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (E)-3-[(3aR,4R,6R,6aR)-4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]prop-2-en-1-ol with MolForge

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Launch Full Analysis

Related Compounds

5,6-Dideoxy-1,2-O-isopropylidenehex-5-enofuranose
CID 111283
(E)-4-(6-methoxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl)but-3-en-2-one
CID 6272572
Gkexxsplhbskeg-kvpketbzsa-
CID 11788694
5,6-Dideoxy-1,2-O-isopropylidene-alpha-D-xylo-hex-5-enofuranose
CID 10631404
(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,5S,6aR)-5-[(1E)-buta-1,3-dienyl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole
CID 10867244
(2Z)-2-[(3aR,5S,6aR)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,6a-dihydrofuro[2,3-d][1,3]dioxol-6-ylidene]ethanol
CID 10891457
(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
(3AS,6S,6aS)-2,2-dimethyl-6-vinyltetrahydrofuro[3,4-d][1,3]dioxol-4-ol
CID 11344435
(Z,4R,5S)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-5-(methoxymethoxy)pent-2-ene-1,4-diol
CID 11821409
5-Ethenyl-6-methoxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole
CID 18534362
(3aR,5R,6S,6aR)-5-[(Z)-4-hydroxybut-1-enyl]spiro[3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole-2,1'-cyclohexane]-6-ol
CID 71726202

Frequently Asked Questions

What is the IUPAC name of (E)-3-[(3aR,4R,6R,6aR)-4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]prop-2-en-1-ol?
The IUPAC name of (E)-3-[(3aR,4R,6R,6aR)-4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]prop-2-en-1-ol (CID 10585534) is (E)-3-[(3aR,4R,6R,6aR)-4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]prop-2-en-1-ol.
What is the SMILES notation for (E)-3-[(3aR,4R,6R,6aR)-4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]prop-2-en-1-ol?
The canonical SMILES for (E)-3-[(3aR,4R,6R,6aR)-4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]prop-2-en-1-ol is CO[C@@H]1O[C@H](/C=C/CO)[C@H]2OC(C)(C)O[C@@H]12.
What is the InChIKey of (E)-3-[(3aR,4R,6R,6aR)-4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]prop-2-en-1-ol?
The InChIKey is QMDJLQIIQVTIHW-FUGMZQJXSA-N. The full InChI is InChI=1S/C11H18O5/c1-11(2)15-8-7(5-4-6-12)14-10(13-3)9(8)16-11/h4-5,7-10,12H,6H2,1-3H3/b5-4+/t7-,8-,9-,10-/m1/s1.
What are the key properties of (E)-3-[(3aR,4R,6R,6aR)-4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]prop-2-en-1-ol?
(E)-3-[(3aR,4R,6R,6aR)-4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]prop-2-en-1-ol has a molecular weight of 230.26 g/mol, XLogP of 0.43, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[(3aR,4R,6R,6aR)-4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]prop-2-en-1-ol is sourced from PubChem (CID 10585534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).