(1R,3aR,5aR,7S,9aR,9bR)-2',3a,5a,6,6-pentamethyl-1-prop-1-en-2-ylspiro[2,3,4,5,8,9,9a,9b-octahydro-1H-cyclopenta[a]naphthalene-7,1'-cyclopropane]

C23H38 — CID 144681816

About (1R,3aR,5aR,7S,9aR,9bR)-2',3a,5a,6,6-pentamethyl-1-prop-1-en-2-ylspiro[2,3,4,5,8,9,9a,9b-octahydro-1H-cyclopenta[a]naphthalene-7,1'-cyclopropane]

(1R,3aR,5aR,7S,9aR,9bR)-2',3a,5a,6,6-pentamethyl-1-prop-1-en-2-ylspiro[2,3,4,5,8,9,9a,9b-octahydro-1H-cyclopenta[a]naphthalene-7,1'-cyclopropane] (PubChem CID 144681816) has the molecular formula C23H38 and a molecular weight of 314.56 g/mol. Its IUPAC name is (1R,3aR,5aR,7S,9aR,9bR)-2',3a,5a,6,6-pentamethyl-1-prop-1-en-2-ylspiro[2,3,4,5,8,9,9a,9b-octahydro-1H-cyclopenta[a]naphthalene-7,1'-cyclopropane].

Molecular Properties

• Compound Name: (1R,3aR,5aR,7S,9aR,9bR)-2',3a,5a,6,6-pentamethyl-1-prop-1-en-2-ylspiro[2,3,4,5,8,9,9a,9b-octahydro-1H-cyclopenta[a]naphthalene-7,1'-cyclopropane]
• PubChem CID: 144681816
• Molecular Formula: C23H38
• Molecular Weight: 314.56 g/mol
• Exact Mass: 314.30
• IUPAC Name: (1R,3aR,5aR,7S,9aR,9bR)-2',3a,5a,6,6-pentamethyl-1-prop-1-en-2-ylspiro[2,3,4,5,8,9,9a,9b-octahydro-1H-cyclopenta[a]naphthalene-7,1'-cyclopropane]
• SMILES: C=C(C)[C@@H]1CC[C@]2(C)CC[C@]3(C)[C@H](CC[C@@]4(CC4C)C3(C)C)[C@@H]12
• InChI: InChI=1S/C23H38/c1-15(2)17-8-10-21(6)12-13-22(7)18(19(17)21)9-11-23(14-16(23)3)20(22,4)5/h16-19H,1,8-14H2,2-7H3/t16?,17-,18+,19+,21+,22+,23-/m0/s1
• InChIKey: OEKSOPVMEBTYRY-BBPIFAQMSA-N
• XLogP: 6.86
• TPSA: 0.00 Ų
• Rotatable Bonds: 1
• Heavy Atoms: 23
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	314.56
LogP ≤ 5	6.86
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	0

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (1R,3aR,5aR,7S,9aR,9bR)-2',3a,5a,6,6-pentamethyl-1-prop-1-en-2-ylspiro[2,3,4,5,8,9,9a,9b-octahydro-1H-cyclopenta[a]naphthalene-7,1'-cyclopropane]?

The IUPAC name of (1R,3aR,5aR,7S,9aR,9bR)-2',3a,5a,6,6-pentamethyl-1-prop-1-en-2-ylspiro[2,3,4,5,8,9,9a,9b-octahydro-1H-cyclopenta[a]naphthalene-7,1'-cyclopropane] (CID 144681816) is (1R,3aR,5aR,7S,9aR,9bR)-2',3a,5a,6,6-pentamethyl-1-prop-1-en-2-ylspiro[2,3,4,5,8,9,9a,9b-octahydro-1H-cyclopenta[a]naphthalene-7,1'-cyclopropane].

What is the SMILES notation for (1R,3aR,5aR,7S,9aR,9bR)-2',3a,5a,6,6-pentamethyl-1-prop-1-en-2-ylspiro[2,3,4,5,8,9,9a,9b-octahydro-1H-cyclopenta[a]naphthalene-7,1'-cyclopropane]?

The canonical SMILES for (1R,3aR,5aR,7S,9aR,9bR)-2',3a,5a,6,6-pentamethyl-1-prop-1-en-2-ylspiro[2,3,4,5,8,9,9a,9b-octahydro-1H-cyclopenta[a]naphthalene-7,1'-cyclopropane] is C=C(C)[C@@H]1CC[C@]2(C)CC[C@]3(C)[C@H](CC[C@@]4(CC4C)C3(C)C)[C@@H]12.

What is the InChIKey of (1R,3aR,5aR,7S,9aR,9bR)-2',3a,5a,6,6-pentamethyl-1-prop-1-en-2-ylspiro[2,3,4,5,8,9,9a,9b-octahydro-1H-cyclopenta[a]naphthalene-7,1'-cyclopropane]?

The InChIKey is OEKSOPVMEBTYRY-BBPIFAQMSA-N. The full InChI is InChI=1S/C23H38/c1-15(2)17-8-10-21(6)12-13-22(7)18(19(17)21)9-11-23(14-16(23)3)20(22,4)5/h16-19H,1,8-14H2,2-7H3/t16?,17-,18+,19+,21+,22+,23-/m0/s1.

What are the key properties of (1R,3aR,5aR,7S,9aR,9bR)-2',3a,5a,6,6-pentamethyl-1-prop-1-en-2-ylspiro[2,3,4,5,8,9,9a,9b-octahydro-1H-cyclopenta[a]naphthalene-7,1'-cyclopropane]?

(1R,3aR,5aR,7S,9aR,9bR)-2',3a,5a,6,6-pentamethyl-1-prop-1-en-2-ylspiro[2,3,4,5,8,9,9a,9b-octahydro-1H-cyclopenta[a]naphthalene-7,1'-cyclopropane] has a molecular weight of 314.56 g/mol, XLogP of 6.86, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for (1R,3aR,5aR,7S,9aR,9bR)-2',3a,5a,6,6-pentamethyl-1-prop-1-en-2-ylspiro[2,3,4,5,8,9,9a,9b-octahydro-1H-cyclopenta[a]naphthalene-7,1'-cyclopropane] is sourced from PubChem (CID 144681816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).