(1aR,1bR,2R)-1,1,1b,2-tetramethyl-1a,2,3,6a-tetrahydrocyclopropa[a]indene-4,6-dione

C14H18O2 — CID 130318621

IUPAC(1aR,1bR,2R)-1,1,1b,2-tetramethyl-1a,2,3,6a-tetrahydrocyclopropa[a]indene-4,6-dione
SMILESC[C@@H]1CC(=O)C=C2C(=O)C3[C@H](C3(C)C)[C@]21C
InChIInChI=1S/C14H18O2/c1-7-5-8(15)6-9-11(16)10-12(13(10,2)3)14(7,9)4/h6-7,10,12H,5H2,1-4H3/t7-,10?,12-,14+/m1/s1
InChIKeyJFKBBEXHGRBITG-YKMABWHXSA-N
MW218.30 g/mol
LogP2.38
Rot. Bonds

About (1aR,1bR,2R)-1,1,1b,2-tetramethyl-1a,2,3,6a-tetrahydrocyclopropa[a]indene-4,6-dione

(1aR,1bR,2R)-1,1,1b,2-tetramethyl-1a,2,3,6a-tetrahydrocyclopropa[a]indene-4,6-dione (PubChem CID 130318621) has the molecular formula C14H18O2 and a molecular weight of 218.30 g/mol. Its IUPAC name is (1aR,1bR,2R)-1,1,1b,2-tetramethyl-1a,2,3,6a-tetrahydrocyclopropa[a]indene-4,6-dione.

Molecular Properties

Compound Name(1aR,1bR,2R)-1,1,1b,2-tetramethyl-1a,2,3,6a-tetrahydrocyclopropa[a]indene-4,6-dione
PubChem CID130318621
Molecular FormulaC14H18O2
Molecular Weight218.30 g/mol
Exact Mass218.13
IUPAC Name(1aR,1bR,2R)-1,1,1b,2-tetramethyl-1a,2,3,6a-tetrahydrocyclopropa[a]indene-4,6-dione
SMILESC[C@@H]1CC(=O)C=C2C(=O)C3[C@H](C3(C)C)[C@]21C
InChIInChI=1S/C14H18O2/c1-7-5-8(15)6-9-11(16)10-12(13(10,2)3)14(7,9)4/h6-7,10,12H,5H2,1-4H3/t7-,10?,12-,14+/m1/s1
InChIKeyJFKBBEXHGRBITG-YKMABWHXSA-N
XLogP2.38
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (1aR,1bR,2R)-1,1,1b,2-tetramethyl-1a,2,3,6a-tetrahydrocyclopropa[a]indene-4,6-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of (1aR,1bR,2R)-1,1,1b,2-tetramethyl-1a,2,3,6a-tetrahydrocyclopropa[a]indene-4,6-dione?
The IUPAC name of (1aR,1bR,2R)-1,1,1b,2-tetramethyl-1a,2,3,6a-tetrahydrocyclopropa[a]indene-4,6-dione (CID 130318621) is (1aR,1bR,2R)-1,1,1b,2-tetramethyl-1a,2,3,6a-tetrahydrocyclopropa[a]indene-4,6-dione.
What is the SMILES notation for (1aR,1bR,2R)-1,1,1b,2-tetramethyl-1a,2,3,6a-tetrahydrocyclopropa[a]indene-4,6-dione?
The canonical SMILES for (1aR,1bR,2R)-1,1,1b,2-tetramethyl-1a,2,3,6a-tetrahydrocyclopropa[a]indene-4,6-dione is C[C@@H]1CC(=O)C=C2C(=O)C3[C@H](C3(C)C)[C@]21C.
What is the InChIKey of (1aR,1bR,2R)-1,1,1b,2-tetramethyl-1a,2,3,6a-tetrahydrocyclopropa[a]indene-4,6-dione?
The InChIKey is JFKBBEXHGRBITG-YKMABWHXSA-N. The full InChI is InChI=1S/C14H18O2/c1-7-5-8(15)6-9-11(16)10-12(13(10,2)3)14(7,9)4/h6-7,10,12H,5H2,1-4H3/t7-,10?,12-,14+/m1/s1.
What are the key properties of (1aR,1bR,2R)-1,1,1b,2-tetramethyl-1a,2,3,6a-tetrahydrocyclopropa[a]indene-4,6-dione?
(1aR,1bR,2R)-1,1,1b,2-tetramethyl-1a,2,3,6a-tetrahydrocyclopropa[a]indene-4,6-dione has a molecular weight of 218.30 g/mol, XLogP of 2.38, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1aR,1bR,2R)-1,1,1b,2-tetramethyl-1a,2,3,6a-tetrahydrocyclopropa[a]indene-4,6-dione is sourced from PubChem (CID 130318621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).