(3aR,5S,6R,6aR)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1',1'-bis(prop-2-enyl)spiro[5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxole-6,3'-cyclopentane]

C22H34O5 — CID 10883380

IUPAC(3aR,5S,6R,6aR)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1',1'-bis(prop-2-enyl)spiro[5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxole-6,3'-cyclopentane]
SMILESC=CCC1(CC=C)CC[C@@]2(C1)[C@@H]([C@H]1COC(C)(C)O1)O[C@@H]1OC(C)(C)O[C@@H]12
InChIInChI=1S/C22H34O5/c1-7-9-21(10-8-2)11-12-22(14-21)16(15-13-23-19(3,4)25-15)24-18-17(22)26-20(5,6)27-18/h7-8,15-18H,1-2,9-14H2,3-6H3/t15-,16-,17+,18-,22-/m1/s1
InChIKeyIHBWNZNQHMTSAK-GKICUZSHSA-N
MW378.51 g/mol
LogP4.32
Rot. Bonds5

About (3aR,5S,6R,6aR)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1',1'-bis(prop-2-enyl)spiro[5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxole-6,3'-cyclopentane]

(3aR,5S,6R,6aR)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1',1'-bis(prop-2-enyl)spiro[5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxole-6,3'-cyclopentane] (PubChem CID 10883380) has the molecular formula C22H34O5 and a molecular weight of 378.51 g/mol. Its IUPAC name is (3aR,5S,6R,6aR)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1',1'-bis(prop-2-enyl)spiro[5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxole-6,3'-cyclopentane].

Molecular Properties

Compound Name(3aR,5S,6R,6aR)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1',1'-bis(prop-2-enyl)spiro[5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxole-6,3'-cyclopentane]
PubChem CID10883380
Molecular FormulaC22H34O5
Molecular Weight378.51 g/mol
Exact Mass378.24
IUPAC Name(3aR,5S,6R,6aR)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1',1'-bis(prop-2-enyl)spiro[5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxole-6,3'-cyclopentane]
SMILESC=CCC1(CC=C)CC[C@@]2(C1)[C@@H]([C@H]1COC(C)(C)O1)O[C@@H]1OC(C)(C)O[C@@H]12
InChIInChI=1S/C22H34O5/c1-7-9-21(10-8-2)11-12-22(14-21)16(15-13-23-19(3,4)25-15)24-18-17(22)26-20(5,6)27-18/h7-8,15-18H,1-2,9-14H2,3-6H3/t15-,16-,17+,18-,22-/m1/s1
InChIKeyIHBWNZNQHMTSAK-GKICUZSHSA-N
XLogP4.32
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.51
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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

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Frequently Asked Questions

What is the IUPAC name of (3aR,5S,6R,6aR)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1',1'-bis(prop-2-enyl)spiro[5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxole-6,3'-cyclopentane]?
The IUPAC name of (3aR,5S,6R,6aR)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1',1'-bis(prop-2-enyl)spiro[5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxole-6,3'-cyclopentane] (CID 10883380) is (3aR,5S,6R,6aR)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1',1'-bis(prop-2-enyl)spiro[5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxole-6,3'-cyclopentane].
What is the SMILES notation for (3aR,5S,6R,6aR)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1',1'-bis(prop-2-enyl)spiro[5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxole-6,3'-cyclopentane]?
The canonical SMILES for (3aR,5S,6R,6aR)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1',1'-bis(prop-2-enyl)spiro[5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxole-6,3'-cyclopentane] is C=CCC1(CC=C)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,6R,6aR)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1',1'-bis(prop-2-enyl)spiro[5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxole-6,3'-cyclopentane]?
The InChIKey is IHBWNZNQHMTSAK-GKICUZSHSA-N. The full InChI is InChI=1S/C22H34O5/c1-7-9-21(10-8-2)11-12-22(14-21)16(15-13-23-19(3,4)25-15)24-18-17(22)26-20(5,6)27-18/h7-8,15-18H,1-2,9-14H2,3-6H3/t15-,16-,17+,18-,22-/m1/s1.
What are the key properties of (3aR,5S,6R,6aR)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1',1'-bis(prop-2-enyl)spiro[5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxole-6,3'-cyclopentane]?
(3aR,5S,6R,6aR)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1',1'-bis(prop-2-enyl)spiro[5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxole-6,3'-cyclopentane] has a molecular weight of 378.51 g/mol, XLogP of 4.32, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR,5S,6R,6aR)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1',1'-bis(prop-2-enyl)spiro[5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxole-6,3'-cyclopentane] is sourced from PubChem (CID 10883380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).