(3aR,5R,6R,6aR)-6-ethenyl-5-[(2S)-2-hydroxy-3-methylbut-3-enyl]-2,2-dimethyl-5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-6-ol

C14H22O5 — CID 11161548

IUPAC(3aR,5R,6R,6aR)-6-ethenyl-5-[(2S)-2-hydroxy-3-methylbut-3-enyl]-2,2-dimethyl-5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-6-ol
SMILESC=C[C@@]1(O)[C@@H](C[C@H](O)C(=C)C)O[C@@H]2OC(C)(C)O[C@@H]21
InChIInChI=1S/C14H22O5/c1-6-14(16)10(7-9(15)8(2)3)17-12-11(14)18-13(4,5)19-12/h6,9-12,15-16H,1-2,7H2,3-5H3/t9-,10+,11-,12+,14+/m0/s1
InChIKeyDAPQXDKRVNNSPS-SVPLCASGSA-N
MW270.32 g/mol
LogP1.11
Rot. Bonds4

About (3aR,5R,6R,6aR)-6-ethenyl-5-[(2S)-2-hydroxy-3-methylbut-3-enyl]-2,2-dimethyl-5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-6-ol

(3aR,5R,6R,6aR)-6-ethenyl-5-[(2S)-2-hydroxy-3-methylbut-3-enyl]-2,2-dimethyl-5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-6-ol (PubChem CID 11161548) has the molecular formula C14H22O5 and a molecular weight of 270.32 g/mol. Its IUPAC name is (3aR,5R,6R,6aR)-6-ethenyl-5-[(2S)-2-hydroxy-3-methylbut-3-enyl]-2,2-dimethyl-5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-6-ol.

Molecular Properties

Compound Name(3aR,5R,6R,6aR)-6-ethenyl-5-[(2S)-2-hydroxy-3-methylbut-3-enyl]-2,2-dimethyl-5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-6-ol
PubChem CID11161548
Molecular FormulaC14H22O5
Molecular Weight270.32 g/mol
Exact Mass270.15
IUPAC Name(3aR,5R,6R,6aR)-6-ethenyl-5-[(2S)-2-hydroxy-3-methylbut-3-enyl]-2,2-dimethyl-5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-6-ol
SMILESC=C[C@@]1(O)[C@@H](C[C@H](O)C(=C)C)O[C@@H]2OC(C)(C)O[C@@H]21
InChIInChI=1S/C14H22O5/c1-6-14(16)10(7-9(15)8(2)3)17-12-11(14)18-13(4,5)19-12/h6,9-12,15-16H,1-2,7H2,3-5H3/t9-,10+,11-,12+,14+/m0/s1
InChIKeyDAPQXDKRVNNSPS-SVPLCASGSA-N
XLogP1.11
TPSA68.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.32
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (3aR,5R,6R,6aR)-6-ethenyl-5-[(2S)-2-hydroxy-3-methylbut-3-enyl]-2,2-dimethyl-5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-6-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of (3aR,5R,6R,6aR)-6-ethenyl-5-[(2S)-2-hydroxy-3-methylbut-3-enyl]-2,2-dimethyl-5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-6-ol?
The IUPAC name of (3aR,5R,6R,6aR)-6-ethenyl-5-[(2S)-2-hydroxy-3-methylbut-3-enyl]-2,2-dimethyl-5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-6-ol (CID 11161548) is (3aR,5R,6R,6aR)-6-ethenyl-5-[(2S)-2-hydroxy-3-methylbut-3-enyl]-2,2-dimethyl-5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-6-ol.
What is the SMILES notation for (3aR,5R,6R,6aR)-6-ethenyl-5-[(2S)-2-hydroxy-3-methylbut-3-enyl]-2,2-dimethyl-5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-6-ol?
The canonical SMILES for (3aR,5R,6R,6aR)-6-ethenyl-5-[(2S)-2-hydroxy-3-methylbut-3-enyl]-2,2-dimethyl-5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-6-ol is C=C[C@@]1(O)[C@@H](C[C@H](O)C(=C)C)O[C@@H]2OC(C)(C)O[C@@H]21.
What is the InChIKey of (3aR,5R,6R,6aR)-6-ethenyl-5-[(2S)-2-hydroxy-3-methylbut-3-enyl]-2,2-dimethyl-5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-6-ol?
The InChIKey is DAPQXDKRVNNSPS-SVPLCASGSA-N. The full InChI is InChI=1S/C14H22O5/c1-6-14(16)10(7-9(15)8(2)3)17-12-11(14)18-13(4,5)19-12/h6,9-12,15-16H,1-2,7H2,3-5H3/t9-,10+,11-,12+,14+/m0/s1.
What are the key properties of (3aR,5R,6R,6aR)-6-ethenyl-5-[(2S)-2-hydroxy-3-methylbut-3-enyl]-2,2-dimethyl-5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-6-ol?
(3aR,5R,6R,6aR)-6-ethenyl-5-[(2S)-2-hydroxy-3-methylbut-3-enyl]-2,2-dimethyl-5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-6-ol has a molecular weight of 270.32 g/mol, XLogP of 1.11, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR,5R,6R,6aR)-6-ethenyl-5-[(2S)-2-hydroxy-3-methylbut-3-enyl]-2,2-dimethyl-5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-6-ol is sourced from PubChem (CID 11161548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).