(3aR,4aR,8aR,8bR)-4a,8,8,8a-tetramethyl-3a,4,5,6,7,8b-hexahydro-3H-indeno[1,2-c]furan-1-one

C15H24O2 — CID 12012146

IUPAC(3aR,4aR,8aR,8bR)-4a,8,8,8a-tetramethyl-3a,4,5,6,7,8b-hexahydro-3H-indeno[1,2-c]furan-1-one
SMILESCC1(C)CCC[C@]2(C)C[C@H]3COC(=O)[C@H]3[C@]12C
InChIInChI=1S/C15H24O2/c1-13(2)6-5-7-14(3)8-10-9-17-12(16)11(10)15(13,14)4/h10-11H,5-9H2,1-4H3/t10-,11-,14+,15+/m0/s1
InChIKeyBSIDXSIUDCVAHE-UOVKNHIHSA-N
MW236.35 g/mol
LogP3.40
Rot. Bonds

About (3aR,4aR,8aR,8bR)-4a,8,8,8a-tetramethyl-3a,4,5,6,7,8b-hexahydro-3H-indeno[1,2-c]furan-1-one

(3aR,4aR,8aR,8bR)-4a,8,8,8a-tetramethyl-3a,4,5,6,7,8b-hexahydro-3H-indeno[1,2-c]furan-1-one (PubChem CID 12012146) has the molecular formula C15H24O2 and a molecular weight of 236.35 g/mol. Its IUPAC name is (3aR,4aR,8aR,8bR)-4a,8,8,8a-tetramethyl-3a,4,5,6,7,8b-hexahydro-3H-indeno[1,2-c]furan-1-one.

Molecular Properties

Compound Name(3aR,4aR,8aR,8bR)-4a,8,8,8a-tetramethyl-3a,4,5,6,7,8b-hexahydro-3H-indeno[1,2-c]furan-1-one
PubChem CID12012146
Molecular FormulaC15H24O2
Molecular Weight236.35 g/mol
Exact Mass236.18
IUPAC Name(3aR,4aR,8aR,8bR)-4a,8,8,8a-tetramethyl-3a,4,5,6,7,8b-hexahydro-3H-indeno[1,2-c]furan-1-one
SMILESCC1(C)CCC[C@]2(C)C[C@H]3COC(=O)[C@H]3[C@]12C
InChIInChI=1S/C15H24O2/c1-13(2)6-5-7-14(3)8-10-9-17-12(16)11(10)15(13,14)4/h10-11H,5-9H2,1-4H3/t10-,11-,14+,15+/m0/s1
InChIKeyBSIDXSIUDCVAHE-UOVKNHIHSA-N
XLogP3.40
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.35
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (3aR,4aR,8aR,8bR)-4a,8,8,8a-tetramethyl-3a,4,5,6,7,8b-hexahydro-3H-indeno[1,2-c]furan-1-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of (3aR,4aR,8aR,8bR)-4a,8,8,8a-tetramethyl-3a,4,5,6,7,8b-hexahydro-3H-indeno[1,2-c]furan-1-one?
The IUPAC name of (3aR,4aR,8aR,8bR)-4a,8,8,8a-tetramethyl-3a,4,5,6,7,8b-hexahydro-3H-indeno[1,2-c]furan-1-one (CID 12012146) is (3aR,4aR,8aR,8bR)-4a,8,8,8a-tetramethyl-3a,4,5,6,7,8b-hexahydro-3H-indeno[1,2-c]furan-1-one.
What is the SMILES notation for (3aR,4aR,8aR,8bR)-4a,8,8,8a-tetramethyl-3a,4,5,6,7,8b-hexahydro-3H-indeno[1,2-c]furan-1-one?
The canonical SMILES for (3aR,4aR,8aR,8bR)-4a,8,8,8a-tetramethyl-3a,4,5,6,7,8b-hexahydro-3H-indeno[1,2-c]furan-1-one is CC1(C)CCC[C@]2(C)C[C@H]3COC(=O)[C@H]3[C@]12C.
What is the InChIKey of (3aR,4aR,8aR,8bR)-4a,8,8,8a-tetramethyl-3a,4,5,6,7,8b-hexahydro-3H-indeno[1,2-c]furan-1-one?
The InChIKey is BSIDXSIUDCVAHE-UOVKNHIHSA-N. The full InChI is InChI=1S/C15H24O2/c1-13(2)6-5-7-14(3)8-10-9-17-12(16)11(10)15(13,14)4/h10-11H,5-9H2,1-4H3/t10-,11-,14+,15+/m0/s1.
What are the key properties of (3aR,4aR,8aR,8bR)-4a,8,8,8a-tetramethyl-3a,4,5,6,7,8b-hexahydro-3H-indeno[1,2-c]furan-1-one?
(3aR,4aR,8aR,8bR)-4a,8,8,8a-tetramethyl-3a,4,5,6,7,8b-hexahydro-3H-indeno[1,2-c]furan-1-one has a molecular weight of 236.35 g/mol, XLogP of 3.40, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR,4aR,8aR,8bR)-4a,8,8,8a-tetramethyl-3a,4,5,6,7,8b-hexahydro-3H-indeno[1,2-c]furan-1-one is sourced from PubChem (CID 12012146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).