7'-oxospiro[1,3-dioxolane-2,3'-2,4,5,6-tetrahydro-1H-naphthalene]-4'a-carbaldehyde

C13H16O4 — CID 135044322

IUPAC7'-oxospiro[1,3-dioxolane-2,3'-2,4,5,6-tetrahydro-1H-naphthalene]-4'a-carbaldehyde
SMILESO=CC12CCC(=O)C=C1CCC1(C2)OCCO1
InChIInChI=1S/C13H16O4/c14-9-12-3-2-11(15)7-10(12)1-4-13(8-12)16-5-6-17-13/h7,9H,1-6,8H2
InChIKeyBMEAQPHEVDNBHD-UHFFFAOYSA-N
MW236.27 g/mol
LogP1.39
Rot. Bonds1

About 7'-oxospiro[1,3-dioxolane-2,3'-2,4,5,6-tetrahydro-1H-naphthalene]-4'a-carbaldehyde

7'-oxospiro[1,3-dioxolane-2,3'-2,4,5,6-tetrahydro-1H-naphthalene]-4'a-carbaldehyde (PubChem CID 135044322) has the molecular formula C13H16O4 and a molecular weight of 236.27 g/mol. Its IUPAC name is 7'-oxospiro[1,3-dioxolane-2,3'-2,4,5,6-tetrahydro-1H-naphthalene]-4'a-carbaldehyde.

Molecular Properties

Compound Name7'-oxospiro[1,3-dioxolane-2,3'-2,4,5,6-tetrahydro-1H-naphthalene]-4'a-carbaldehyde
PubChem CID135044322
Molecular FormulaC13H16O4
Molecular Weight236.27 g/mol
Exact Mass236.10
IUPAC Name7'-oxospiro[1,3-dioxolane-2,3'-2,4,5,6-tetrahydro-1H-naphthalene]-4'a-carbaldehyde
SMILESO=CC12CCC(=O)C=C1CCC1(C2)OCCO1
InChIInChI=1S/C13H16O4/c14-9-12-3-2-11(15)7-10(12)1-4-13(8-12)16-5-6-17-13/h7,9H,1-6,8H2
InChIKeyBMEAQPHEVDNBHD-UHFFFAOYSA-N
XLogP1.39
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 51.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7'-oxospiro[1,3-dioxolane-2,3'-2,4,5,6-tetrahydro-1H-naphthalene]-4'a-carbaldehyde?
The IUPAC name of 7'-oxospiro[1,3-dioxolane-2,3'-2,4,5,6-tetrahydro-1H-naphthalene]-4'a-carbaldehyde (CID 135044322) is 7'-oxospiro[1,3-dioxolane-2,3'-2,4,5,6-tetrahydro-1H-naphthalene]-4'a-carbaldehyde.
What is the SMILES notation for 7'-oxospiro[1,3-dioxolane-2,3'-2,4,5,6-tetrahydro-1H-naphthalene]-4'a-carbaldehyde?
The canonical SMILES for 7'-oxospiro[1,3-dioxolane-2,3'-2,4,5,6-tetrahydro-1H-naphthalene]-4'a-carbaldehyde is O=CC12CCC(=O)C=C1CCC1(C2)OCCO1.
What is the InChIKey of 7'-oxospiro[1,3-dioxolane-2,3'-2,4,5,6-tetrahydro-1H-naphthalene]-4'a-carbaldehyde?
The InChIKey is BMEAQPHEVDNBHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16O4/c14-9-12-3-2-11(15)7-10(12)1-4-13(8-12)16-5-6-17-13/h7,9H,1-6,8H2.
What are the key properties of 7'-oxospiro[1,3-dioxolane-2,3'-2,4,5,6-tetrahydro-1H-naphthalene]-4'a-carbaldehyde?
7'-oxospiro[1,3-dioxolane-2,3'-2,4,5,6-tetrahydro-1H-naphthalene]-4'a-carbaldehyde has a molecular weight of 236.27 g/mol, XLogP of 1.39, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7'-oxospiro[1,3-dioxolane-2,3'-2,4,5,6-tetrahydro-1H-naphthalene]-4'a-carbaldehyde is sourced from PubChem (CID 135044322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).