1',1'-dimethylspiro[1,3-dioxolane-2,6'-2,3,4,5-tetrahydroindene]-3'a-carbaldehyde

C14H20O3 — CID 134495929

IUPAC1',1'-dimethylspiro[1,3-dioxolane-2,6'-2,3,4,5-tetrahydroindene]-3'a-carbaldehyde
SMILESCC1(C)CCC2(C=O)CCC3(C=C12)OCCO3
InChIInChI=1S/C14H20O3/c1-12(2)3-4-13(10-15)5-6-14(9-11(12)13)16-7-8-17-14/h9-10H,3-8H2,1-2H3
InChIKeyGJPMFCBXUOOUAY-UHFFFAOYSA-N
MW236.31 g/mol
LogP2.45
Rot. Bonds1

About 1',1'-dimethylspiro[1,3-dioxolane-2,6'-2,3,4,5-tetrahydroindene]-3'a-carbaldehyde

1',1'-dimethylspiro[1,3-dioxolane-2,6'-2,3,4,5-tetrahydroindene]-3'a-carbaldehyde (PubChem CID 134495929) has the molecular formula C14H20O3 and a molecular weight of 236.31 g/mol. Its IUPAC name is 1',1'-dimethylspiro[1,3-dioxolane-2,6'-2,3,4,5-tetrahydroindene]-3'a-carbaldehyde.

Molecular Properties

Compound Name1',1'-dimethylspiro[1,3-dioxolane-2,6'-2,3,4,5-tetrahydroindene]-3'a-carbaldehyde
PubChem CID134495929
Molecular FormulaC14H20O3
Molecular Weight236.31 g/mol
Exact Mass236.14
IUPAC Name1',1'-dimethylspiro[1,3-dioxolane-2,6'-2,3,4,5-tetrahydroindene]-3'a-carbaldehyde
SMILESCC1(C)CCC2(C=O)CCC3(C=C12)OCCO3
InChIInChI=1S/C14H20O3/c1-12(2)3-4-13(10-15)5-6-14(9-11(12)13)16-7-8-17-14/h9-10H,3-8H2,1-2H3
InChIKeyGJPMFCBXUOOUAY-UHFFFAOYSA-N
XLogP2.45
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1',1'-dimethylspiro[1,3-dioxolane-2,6'-2,3,4,5-tetrahydroindene]-3'a-carbaldehyde?
The IUPAC name of 1',1'-dimethylspiro[1,3-dioxolane-2,6'-2,3,4,5-tetrahydroindene]-3'a-carbaldehyde (CID 134495929) is 1',1'-dimethylspiro[1,3-dioxolane-2,6'-2,3,4,5-tetrahydroindene]-3'a-carbaldehyde.
What is the SMILES notation for 1',1'-dimethylspiro[1,3-dioxolane-2,6'-2,3,4,5-tetrahydroindene]-3'a-carbaldehyde?
The canonical SMILES for 1',1'-dimethylspiro[1,3-dioxolane-2,6'-2,3,4,5-tetrahydroindene]-3'a-carbaldehyde is CC1(C)CCC2(C=O)CCC3(C=C12)OCCO3.
What is the InChIKey of 1',1'-dimethylspiro[1,3-dioxolane-2,6'-2,3,4,5-tetrahydroindene]-3'a-carbaldehyde?
The InChIKey is GJPMFCBXUOOUAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O3/c1-12(2)3-4-13(10-15)5-6-14(9-11(12)13)16-7-8-17-14/h9-10H,3-8H2,1-2H3.
What are the key properties of 1',1'-dimethylspiro[1,3-dioxolane-2,6'-2,3,4,5-tetrahydroindene]-3'a-carbaldehyde?
1',1'-dimethylspiro[1,3-dioxolane-2,6'-2,3,4,5-tetrahydroindene]-3'a-carbaldehyde has a molecular weight of 236.31 g/mol, XLogP of 2.45, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1',1'-dimethylspiro[1,3-dioxolane-2,6'-2,3,4,5-tetrahydroindene]-3'a-carbaldehyde is sourced from PubChem (CID 134495929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).