(1S,4R,5R,6R)-6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]spiro[bicyclo[2.2.1]hept-2-ene-5,3'-oxolane]-2'-one

C15H20O4 — CID 10849218

IUPAC(1S,4R,5R,6R)-6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]spiro[bicyclo[2.2.1]hept-2-ene-5,3'-oxolane]-2'-one
SMILESCC1(C)OC[C@@H]([C@@H]2[C@@H]3C=C[C@@H](C3)[C@]23CCOC3=O)O1
InChIInChI=1S/C15H20O4/c1-14(2)18-8-11(19-14)12-9-3-4-10(7-9)15(12)5-6-17-13(15)16/h3-4,9-12H,5-8H2,1-2H3/t9-,10+,11+,12+,15-/m1/s1
InChIKeyZVMAKNRYFFQWBT-JLPNCARGSA-N
MW264.32 g/mol
LogP1.89
Rot. Bonds1

About (1S,4R,5R,6R)-6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]spiro[bicyclo[2.2.1]hept-2-ene-5,3'-oxolane]-2'-one

(1S,4R,5R,6R)-6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]spiro[bicyclo[2.2.1]hept-2-ene-5,3'-oxolane]-2'-one (PubChem CID 10849218) has the molecular formula C15H20O4 and a molecular weight of 264.32 g/mol. Its IUPAC name is (1S,4R,5R,6R)-6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]spiro[bicyclo[2.2.1]hept-2-ene-5,3'-oxolane]-2'-one.

Molecular Properties

Compound Name(1S,4R,5R,6R)-6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]spiro[bicyclo[2.2.1]hept-2-ene-5,3'-oxolane]-2'-one
PubChem CID10849218
Molecular FormulaC15H20O4
Molecular Weight264.32 g/mol
Exact Mass264.14
IUPAC Name(1S,4R,5R,6R)-6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]spiro[bicyclo[2.2.1]hept-2-ene-5,3'-oxolane]-2'-one
SMILESCC1(C)OC[C@@H]([C@@H]2[C@@H]3C=C[C@@H](C3)[C@]23CCOC3=O)O1
InChIInChI=1S/C15H20O4/c1-14(2)18-8-11(19-14)12-9-3-4-10(7-9)15(12)5-6-17-13(15)16/h3-4,9-12H,5-8H2,1-2H3/t9-,10+,11+,12+,15-/m1/s1
InChIKeyZVMAKNRYFFQWBT-JLPNCARGSA-N
XLogP1.89
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (1S,4R,5R,6R)-6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]spiro[bicyclo[2.2.1]hept-2-ene-5,3'-oxolane]-2'-one with MolForge

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Related Compounds

(1S,4S,4'R,5R)-4'-[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]spiro[bicyclo[2.2.1]hept-2-ene-5,3'-oxolane]-2'-one
CID 60201521
Methyl 5-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyl-3-methylenecyclopentanecarboxylate
CID 539518
methyl (1R,2R,3R,4S)-3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]bicyclo[2.2.1]hept-5-ene-2-carboxylate
CID 11747115
2-(5-Oxooxolan-2-yl)propan-2-yl bicyclo[2.2.1]hept-5-ene-2-carboxylate
CID 20736041
(3,3-Dimethyl-5-oxooxolan-2-yl)methyl bicyclo[2.2.1]hept-5-ene-2-carboxylate
CID 20736075
(5-Oxooxolan-2-yl)methyl bicyclo[2.2.1]hept-5-ene-2-carboxylate
CID 20736082
[1-[5-(Methoxymethyl)oxolan-2-yl]cyclopentyl] bicyclo[2.2.1]hept-5-ene-2-carboxylate
CID 58734486
[1-[5-(Acetyloxymethyl)oxolan-2-yl]cyclopentyl] bicyclo[2.2.1]hept-5-ene-2-carboxylate
CID 58734494
(4,4-Dimethyl-5-oxooxolan-2-yl)methyl bicyclo[2.2.1]hept-5-ene-2-carboxylate
CID 68821741
Methyl 2-(1,3-dioxolan-4-yl)bicyclo[2.2.1]hept-5-ene-2-carboxylate
CID 70143660
4'-Spiro[1,3-dioxolane-4,5'-bicyclo[2.2.1]hept-2-ene]-1'-ylspiro[bicyclo[2.2.1]hept-2-ene-5,3'-oxolane]-2'-one
CID 126699467
(3,3-Diethyl-5-oxooxolan-2-yl)methyl bicyclo[2.2.1]hept-5-ene-2-carboxylate
CID 140474123

Frequently Asked Questions

What is the IUPAC name of (1S,4R,5R,6R)-6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]spiro[bicyclo[2.2.1]hept-2-ene-5,3'-oxolane]-2'-one?
The IUPAC name of (1S,4R,5R,6R)-6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]spiro[bicyclo[2.2.1]hept-2-ene-5,3'-oxolane]-2'-one (CID 10849218) is (1S,4R,5R,6R)-6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]spiro[bicyclo[2.2.1]hept-2-ene-5,3'-oxolane]-2'-one.
What is the SMILES notation for (1S,4R,5R,6R)-6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]spiro[bicyclo[2.2.1]hept-2-ene-5,3'-oxolane]-2'-one?
The canonical SMILES for (1S,4R,5R,6R)-6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]spiro[bicyclo[2.2.1]hept-2-ene-5,3'-oxolane]-2'-one is CC1(C)OC[C@@H]([C@@H]2[C@@H]3C=C[C@@H](C3)[C@]23CCOC3=O)O1.
What is the InChIKey of (1S,4R,5R,6R)-6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]spiro[bicyclo[2.2.1]hept-2-ene-5,3'-oxolane]-2'-one?
The InChIKey is ZVMAKNRYFFQWBT-JLPNCARGSA-N. The full InChI is InChI=1S/C15H20O4/c1-14(2)18-8-11(19-14)12-9-3-4-10(7-9)15(12)5-6-17-13(15)16/h3-4,9-12H,5-8H2,1-2H3/t9-,10+,11+,12+,15-/m1/s1.
What are the key properties of (1S,4R,5R,6R)-6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]spiro[bicyclo[2.2.1]hept-2-ene-5,3'-oxolane]-2'-one?
(1S,4R,5R,6R)-6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]spiro[bicyclo[2.2.1]hept-2-ene-5,3'-oxolane]-2'-one has a molecular weight of 264.32 g/mol, XLogP of 1.89, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,4R,5R,6R)-6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]spiro[bicyclo[2.2.1]hept-2-ene-5,3'-oxolane]-2'-one is sourced from PubChem (CID 10849218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).