8-oxadispiro[4.1.47.35]tetradec-3-ene-3-carbaldehyde

C14H20O2 — CID 87893734

IUPAC8-oxadispiro[4.1.47.35]tetradec-3-ene-3-carbaldehyde
SMILESO=CC1=CC2(CCCC3(CCCO3)C2)CC1
InChIInChI=1S/C14H20O2/c15-10-12-3-7-13(9-12)4-1-5-14(11-13)6-2-8-16-14/h9-10H,1-8,11H2
InChIKeyDAOHIZYHJUWOHJ-UHFFFAOYSA-N
MW220.31 g/mol
LogP3.02
Rot. Bonds1

About 8-oxadispiro[4.1.47.35]tetradec-3-ene-3-carbaldehyde

8-oxadispiro[4.1.47.35]tetradec-3-ene-3-carbaldehyde (PubChem CID 87893734) has the molecular formula C14H20O2 and a molecular weight of 220.31 g/mol. Its IUPAC name is 8-oxadispiro[4.1.47.35]tetradec-3-ene-3-carbaldehyde.

Molecular Properties

Compound Name8-oxadispiro[4.1.47.35]tetradec-3-ene-3-carbaldehyde
PubChem CID87893734
Molecular FormulaC14H20O2
Molecular Weight220.31 g/mol
Exact Mass220.15
IUPAC Name8-oxadispiro[4.1.47.35]tetradec-3-ene-3-carbaldehyde
SMILESO=CC1=CC2(CCCC3(CCCO3)C2)CC1
InChIInChI=1S/C14H20O2/c15-10-12-3-7-13(9-12)4-1-5-14(11-13)6-2-8-16-14/h9-10H,1-8,11H2
InChIKeyDAOHIZYHJUWOHJ-UHFFFAOYSA-N
XLogP3.02
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.31
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 8-oxadispiro[4.1.47.35]tetradec-3-ene-3-carbaldehyde?
The IUPAC name of 8-oxadispiro[4.1.47.35]tetradec-3-ene-3-carbaldehyde (CID 87893734) is 8-oxadispiro[4.1.47.35]tetradec-3-ene-3-carbaldehyde.
What is the SMILES notation for 8-oxadispiro[4.1.47.35]tetradec-3-ene-3-carbaldehyde?
The canonical SMILES for 8-oxadispiro[4.1.47.35]tetradec-3-ene-3-carbaldehyde is O=CC1=CC2(CCCC3(CCCO3)C2)CC1.
What is the InChIKey of 8-oxadispiro[4.1.47.35]tetradec-3-ene-3-carbaldehyde?
The InChIKey is DAOHIZYHJUWOHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O2/c15-10-12-3-7-13(9-12)4-1-5-14(11-13)6-2-8-16-14/h9-10H,1-8,11H2.
What are the key properties of 8-oxadispiro[4.1.47.35]tetradec-3-ene-3-carbaldehyde?
8-oxadispiro[4.1.47.35]tetradec-3-ene-3-carbaldehyde has a molecular weight of 220.31 g/mol, XLogP of 3.02, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-oxadispiro[4.1.47.35]tetradec-3-ene-3-carbaldehyde is sourced from PubChem (CID 87893734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).