(8R,9aR)-5a-methyl-8-prop-1-en-2-yl-1,3a,4,5,6,7,8,9-octahydroindeno[1,7a-b]furan-2-one

C15H22O2 — CID 134945418

IUPAC(8R,9aR)-5a-methyl-8-prop-1-en-2-yl-1,3a,4,5,6,7,8,9-octahydroindeno[1,7a-b]furan-2-one
SMILESC=C(C)[C@@H]1CCC2(C)CCC3OC(=O)C[C@@]32C1
InChIInChI=1S/C15H22O2/c1-10(2)11-4-6-14(3)7-5-12-15(14,8-11)9-13(16)17-12/h11-12H,1,4-9H2,2-3H3/t11-,12?,14?,15+/m1/s1
InChIKeyMDLSXBKDWNZDOC-DGLGBPBLSA-N
MW234.34 g/mol
LogP3.46
Rot. Bonds1

About (8R,9aR)-5a-methyl-8-prop-1-en-2-yl-1,3a,4,5,6,7,8,9-octahydroindeno[1,7a-b]furan-2-one

(8R,9aR)-5a-methyl-8-prop-1-en-2-yl-1,3a,4,5,6,7,8,9-octahydroindeno[1,7a-b]furan-2-one (PubChem CID 134945418) has the molecular formula C15H22O2 and a molecular weight of 234.34 g/mol. Its IUPAC name is (8R,9aR)-5a-methyl-8-prop-1-en-2-yl-1,3a,4,5,6,7,8,9-octahydroindeno[1,7a-b]furan-2-one.

Molecular Properties

Compound Name(8R,9aR)-5a-methyl-8-prop-1-en-2-yl-1,3a,4,5,6,7,8,9-octahydroindeno[1,7a-b]furan-2-one
PubChem CID134945418
Molecular FormulaC15H22O2
Molecular Weight234.34 g/mol
Exact Mass234.16
IUPAC Name(8R,9aR)-5a-methyl-8-prop-1-en-2-yl-1,3a,4,5,6,7,8,9-octahydroindeno[1,7a-b]furan-2-one
SMILESC=C(C)[C@@H]1CCC2(C)CCC3OC(=O)C[C@@]32C1
InChIInChI=1S/C15H22O2/c1-10(2)11-4-6-14(3)7-5-12-15(14,8-11)9-13(16)17-12/h11-12H,1,4-9H2,2-3H3/t11-,12?,14?,15+/m1/s1
InChIKeyMDLSXBKDWNZDOC-DGLGBPBLSA-N
XLogP3.46
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (8R,9aR)-5a-methyl-8-prop-1-en-2-yl-1,3a,4,5,6,7,8,9-octahydroindeno[1,7a-b]furan-2-one with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of (8R,9aR)-5a-methyl-8-prop-1-en-2-yl-1,3a,4,5,6,7,8,9-octahydroindeno[1,7a-b]furan-2-one?
The IUPAC name of (8R,9aR)-5a-methyl-8-prop-1-en-2-yl-1,3a,4,5,6,7,8,9-octahydroindeno[1,7a-b]furan-2-one (CID 134945418) is (8R,9aR)-5a-methyl-8-prop-1-en-2-yl-1,3a,4,5,6,7,8,9-octahydroindeno[1,7a-b]furan-2-one.
What is the SMILES notation for (8R,9aR)-5a-methyl-8-prop-1-en-2-yl-1,3a,4,5,6,7,8,9-octahydroindeno[1,7a-b]furan-2-one?
The canonical SMILES for (8R,9aR)-5a-methyl-8-prop-1-en-2-yl-1,3a,4,5,6,7,8,9-octahydroindeno[1,7a-b]furan-2-one is C=C(C)[C@@H]1CCC2(C)CCC3OC(=O)C[C@@]32C1.
What is the InChIKey of (8R,9aR)-5a-methyl-8-prop-1-en-2-yl-1,3a,4,5,6,7,8,9-octahydroindeno[1,7a-b]furan-2-one?
The InChIKey is MDLSXBKDWNZDOC-DGLGBPBLSA-N. The full InChI is InChI=1S/C15H22O2/c1-10(2)11-4-6-14(3)7-5-12-15(14,8-11)9-13(16)17-12/h11-12H,1,4-9H2,2-3H3/t11-,12?,14?,15+/m1/s1.
What are the key properties of (8R,9aR)-5a-methyl-8-prop-1-en-2-yl-1,3a,4,5,6,7,8,9-octahydroindeno[1,7a-b]furan-2-one?
(8R,9aR)-5a-methyl-8-prop-1-en-2-yl-1,3a,4,5,6,7,8,9-octahydroindeno[1,7a-b]furan-2-one has a molecular weight of 234.34 g/mol, XLogP of 3.46, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (8R,9aR)-5a-methyl-8-prop-1-en-2-yl-1,3a,4,5,6,7,8,9-octahydroindeno[1,7a-b]furan-2-one is sourced from PubChem (CID 134945418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).