2'-[(2R)-2-formyl-2-methyl-3-oxocyclopentyl]spiro[1,3-dioxolane-2,6'-3,4,7,8-tetrahydro-2H-naphthalene]-1'-carbaldehyde

C20H24O5 — CID 58952636

IUPAC2'-[(2R)-2-formyl-2-methyl-3-oxocyclopentyl]spiro[1,3-dioxolane-2,6'-3,4,7,8-tetrahydro-2H-naphthalene]-1'-carbaldehyde
SMILESC[C@@]1(C=O)C(=O)CCC1C1CCC2=CC3(CCC2=C1C=O)OCCO3
InChIInChI=1S/C20H24O5/c1-19(12-22)17(4-5-18(19)23)15-3-2-13-10-20(24-8-9-25-20)7-6-14(13)16(15)11-21/h10-12,15,17H,2-9H2,1H3/t15?,17?,19-/m0/s1
InChIKeyINKQTGCPCAHRSX-KVWWFHCMSA-N
MW344.41 g/mol
LogP2.54
Rot. Bonds3

About 2'-[(2R)-2-formyl-2-methyl-3-oxocyclopentyl]spiro[1,3-dioxolane-2,6'-3,4,7,8-tetrahydro-2H-naphthalene]-1'-carbaldehyde

2'-[(2R)-2-formyl-2-methyl-3-oxocyclopentyl]spiro[1,3-dioxolane-2,6'-3,4,7,8-tetrahydro-2H-naphthalene]-1'-carbaldehyde (PubChem CID 58952636) has the molecular formula C20H24O5 and a molecular weight of 344.41 g/mol. Its IUPAC name is 2'-[(2R)-2-formyl-2-methyl-3-oxocyclopentyl]spiro[1,3-dioxolane-2,6'-3,4,7,8-tetrahydro-2H-naphthalene]-1'-carbaldehyde.

Molecular Properties

Compound Name2'-[(2R)-2-formyl-2-methyl-3-oxocyclopentyl]spiro[1,3-dioxolane-2,6'-3,4,7,8-tetrahydro-2H-naphthalene]-1'-carbaldehyde
PubChem CID58952636
Molecular FormulaC20H24O5
Molecular Weight344.41 g/mol
Exact Mass344.16
IUPAC Name2'-[(2R)-2-formyl-2-methyl-3-oxocyclopentyl]spiro[1,3-dioxolane-2,6'-3,4,7,8-tetrahydro-2H-naphthalene]-1'-carbaldehyde
SMILESC[C@@]1(C=O)C(=O)CCC1C1CCC2=CC3(CCC2=C1C=O)OCCO3
InChIInChI=1S/C20H24O5/c1-19(12-22)17(4-5-18(19)23)15-3-2-13-10-20(24-8-9-25-20)7-6-14(13)16(15)11-21/h10-12,15,17H,2-9H2,1H3/t15?,17?,19-/m0/s1
InChIKeyINKQTGCPCAHRSX-KVWWFHCMSA-N
XLogP2.54
TPSA69.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.41
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2'-[(2R)-2-formyl-2-methyl-3-oxocyclopentyl]spiro[1,3-dioxolane-2,6'-3,4,7,8-tetrahydro-2H-naphthalene]-1'-carbaldehyde?
The IUPAC name of 2'-[(2R)-2-formyl-2-methyl-3-oxocyclopentyl]spiro[1,3-dioxolane-2,6'-3,4,7,8-tetrahydro-2H-naphthalene]-1'-carbaldehyde (CID 58952636) is 2'-[(2R)-2-formyl-2-methyl-3-oxocyclopentyl]spiro[1,3-dioxolane-2,6'-3,4,7,8-tetrahydro-2H-naphthalene]-1'-carbaldehyde.
What is the SMILES notation for 2'-[(2R)-2-formyl-2-methyl-3-oxocyclopentyl]spiro[1,3-dioxolane-2,6'-3,4,7,8-tetrahydro-2H-naphthalene]-1'-carbaldehyde?
The canonical SMILES for 2'-[(2R)-2-formyl-2-methyl-3-oxocyclopentyl]spiro[1,3-dioxolane-2,6'-3,4,7,8-tetrahydro-2H-naphthalene]-1'-carbaldehyde is C[C@@]1(C=O)C(=O)CCC1C1CCC2=CC3(CCC2=C1C=O)OCCO3.
What is the InChIKey of 2'-[(2R)-2-formyl-2-methyl-3-oxocyclopentyl]spiro[1,3-dioxolane-2,6'-3,4,7,8-tetrahydro-2H-naphthalene]-1'-carbaldehyde?
The InChIKey is INKQTGCPCAHRSX-KVWWFHCMSA-N. The full InChI is InChI=1S/C20H24O5/c1-19(12-22)17(4-5-18(19)23)15-3-2-13-10-20(24-8-9-25-20)7-6-14(13)16(15)11-21/h10-12,15,17H,2-9H2,1H3/t15?,17?,19-/m0/s1.
What are the key properties of 2'-[(2R)-2-formyl-2-methyl-3-oxocyclopentyl]spiro[1,3-dioxolane-2,6'-3,4,7,8-tetrahydro-2H-naphthalene]-1'-carbaldehyde?
2'-[(2R)-2-formyl-2-methyl-3-oxocyclopentyl]spiro[1,3-dioxolane-2,6'-3,4,7,8-tetrahydro-2H-naphthalene]-1'-carbaldehyde has a molecular weight of 344.41 g/mol, XLogP of 2.54, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2'-[(2R)-2-formyl-2-methyl-3-oxocyclopentyl]spiro[1,3-dioxolane-2,6'-3,4,7,8-tetrahydro-2H-naphthalene]-1'-carbaldehyde is sourced from PubChem (CID 58952636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).