3-(1,4-dioxaspiro[4.5]decan-8-yl)propanal

C11H18O3 — CID 59869044

IUPAC3-(1,4-dioxaspiro[4.5]decan-8-yl)propanal
SMILESO=CCCC1CCC2(CC1)OCCO2
InChIInChI=1S/C11H18O3/c12-7-1-2-10-3-5-11(6-4-10)13-8-9-14-11/h7,10H,1-6,8-9H2
InChIKeyZCLGLXHUWQMSSV-UHFFFAOYSA-N
MW198.26 g/mol
LogP1.90
Rot. Bonds3

About 3-(1,4-dioxaspiro[4.5]decan-8-yl)propanal

3-(1,4-dioxaspiro[4.5]decan-8-yl)propanal (PubChem CID 59869044) has the molecular formula C11H18O3 and a molecular weight of 198.26 g/mol. Its IUPAC name is 3-(1,4-dioxaspiro[4.5]decan-8-yl)propanal.

Molecular Properties

Compound Name3-(1,4-dioxaspiro[4.5]decan-8-yl)propanal
PubChem CID59869044
Molecular FormulaC11H18O3
Molecular Weight198.26 g/mol
Exact Mass198.13
IUPAC Name3-(1,4-dioxaspiro[4.5]decan-8-yl)propanal
SMILESO=CCCC1CCC2(CC1)OCCO2
InChIInChI=1S/C11H18O3/c12-7-1-2-10-3-5-11(6-4-10)13-8-9-14-11/h7,10H,1-6,8-9H2
InChIKeyZCLGLXHUWQMSSV-UHFFFAOYSA-N
XLogP1.90
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.26
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(1,4-dioxaspiro[4.5]decan-8-yl)propanal?
The IUPAC name of 3-(1,4-dioxaspiro[4.5]decan-8-yl)propanal (CID 59869044) is 3-(1,4-dioxaspiro[4.5]decan-8-yl)propanal.
What is the SMILES notation for 3-(1,4-dioxaspiro[4.5]decan-8-yl)propanal?
The canonical SMILES for 3-(1,4-dioxaspiro[4.5]decan-8-yl)propanal is O=CCCC1CCC2(CC1)OCCO2.
What is the InChIKey of 3-(1,4-dioxaspiro[4.5]decan-8-yl)propanal?
The InChIKey is ZCLGLXHUWQMSSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O3/c12-7-1-2-10-3-5-11(6-4-10)13-8-9-14-11/h7,10H,1-6,8-9H2.
What are the key properties of 3-(1,4-dioxaspiro[4.5]decan-8-yl)propanal?
3-(1,4-dioxaspiro[4.5]decan-8-yl)propanal has a molecular weight of 198.26 g/mol, XLogP of 1.90, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,4-dioxaspiro[4.5]decan-8-yl)propanal is sourced from PubChem (CID 59869044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).