(3aR,5S,6S,6aR)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-1',2,2-trimethylspiro[5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxole-6,4'-cyclopentene]

C17H26O5 — CID 11066866

IUPAC(3aR,5S,6S,6aR)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-1',2,2-trimethylspiro[5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxole-6,4'-cyclopentene]
SMILESCC1=CC[C@]2(C1)[C@@H]([C@H]1COC(C)(C)O1)O[C@@H]1OC(C)(C)O[C@@H]12
InChIInChI=1S/C17H26O5/c1-10-6-7-17(8-10)12(11-9-18-15(2,3)20-11)19-14-13(17)21-16(4,5)22-14/h6,11-14H,7-9H2,1-5H3/t11-,12-,13+,14-,17+/m1/s1
InChIKeyDXJAJCZEOODKJG-MPZWGZMNSA-N
MW310.39 g/mol
LogP2.74
Rot. Bonds1

About (3aR,5S,6S,6aR)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-1',2,2-trimethylspiro[5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxole-6,4'-cyclopentene]

(3aR,5S,6S,6aR)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-1',2,2-trimethylspiro[5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxole-6,4'-cyclopentene] (PubChem CID 11066866) has the molecular formula C17H26O5 and a molecular weight of 310.39 g/mol. Its IUPAC name is (3aR,5S,6S,6aR)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-1',2,2-trimethylspiro[5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxole-6,4'-cyclopentene].

Molecular Properties

Compound Name(3aR,5S,6S,6aR)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-1',2,2-trimethylspiro[5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxole-6,4'-cyclopentene]
PubChem CID11066866
Molecular FormulaC17H26O5
Molecular Weight310.39 g/mol
Exact Mass310.18
IUPAC Name(3aR,5S,6S,6aR)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-1',2,2-trimethylspiro[5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxole-6,4'-cyclopentene]
SMILESCC1=CC[C@]2(C1)[C@@H]([C@H]1COC(C)(C)O1)O[C@@H]1OC(C)(C)O[C@@H]12
InChIInChI=1S/C17H26O5/c1-10-6-7-17(8-10)12(11-9-18-15(2,3)20-11)19-14-13(17)21-16(4,5)22-14/h6,11-14H,7-9H2,1-5H3/t11-,12-,13+,14-,17+/m1/s1
InChIKeyDXJAJCZEOODKJG-MPZWGZMNSA-N
XLogP2.74
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.39
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (3aR,5S,6S,6aR)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-1',2,2-trimethylspiro[5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxole-6,4'-cyclopentene] with MolForge

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Frequently Asked Questions

What is the IUPAC name of (3aR,5S,6S,6aR)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-1',2,2-trimethylspiro[5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxole-6,4'-cyclopentene]?
The IUPAC name of (3aR,5S,6S,6aR)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-1',2,2-trimethylspiro[5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxole-6,4'-cyclopentene] (CID 11066866) is (3aR,5S,6S,6aR)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-1',2,2-trimethylspiro[5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxole-6,4'-cyclopentene].
What is the SMILES notation for (3aR,5S,6S,6aR)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-1',2,2-trimethylspiro[5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxole-6,4'-cyclopentene]?
The canonical SMILES for (3aR,5S,6S,6aR)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-1',2,2-trimethylspiro[5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxole-6,4'-cyclopentene] is CC1=CC[C@]2(C1)[C@@H]([C@H]1COC(C)(C)O1)O[C@@H]1OC(C)(C)O[C@@H]12.
What is the InChIKey of (3aR,5S,6S,6aR)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-1',2,2-trimethylspiro[5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxole-6,4'-cyclopentene]?
The InChIKey is DXJAJCZEOODKJG-MPZWGZMNSA-N. The full InChI is InChI=1S/C17H26O5/c1-10-6-7-17(8-10)12(11-9-18-15(2,3)20-11)19-14-13(17)21-16(4,5)22-14/h6,11-14H,7-9H2,1-5H3/t11-,12-,13+,14-,17+/m1/s1.
What are the key properties of (3aR,5S,6S,6aR)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-1',2,2-trimethylspiro[5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxole-6,4'-cyclopentene]?
(3aR,5S,6S,6aR)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-1',2,2-trimethylspiro[5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxole-6,4'-cyclopentene] has a molecular weight of 310.39 g/mol, XLogP of 2.74, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR,5S,6S,6aR)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-1',2,2-trimethylspiro[5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxole-6,4'-cyclopentene] is sourced from PubChem (CID 11066866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).