7-ethyl-1,4-dioxaspiro[4.4]nonane-8-carbaldehyde

C10H16O3 — CID 129130912

IUPAC7-ethyl-1,4-dioxaspiro[4.4]nonane-8-carbaldehyde
SMILESCCC1CC2(CC1C=O)OCCO2
InChIInChI=1S/C10H16O3/c1-2-8-5-10(6-9(8)7-11)12-3-4-13-10/h7-9H,2-6H2,1H3
InChIKeyNLBYLQFFNKSCHO-UHFFFAOYSA-N
MW184.23 g/mol
LogP1.36
Rot. Bonds2

About 7-ethyl-1,4-dioxaspiro[4.4]nonane-8-carbaldehyde

7-ethyl-1,4-dioxaspiro[4.4]nonane-8-carbaldehyde (PubChem CID 129130912) has the molecular formula C10H16O3 and a molecular weight of 184.23 g/mol. Its IUPAC name is 7-ethyl-1,4-dioxaspiro[4.4]nonane-8-carbaldehyde.

Molecular Properties

Compound Name7-ethyl-1,4-dioxaspiro[4.4]nonane-8-carbaldehyde
PubChem CID129130912
Molecular FormulaC10H16O3
Molecular Weight184.23 g/mol
Exact Mass184.11
IUPAC Name7-ethyl-1,4-dioxaspiro[4.4]nonane-8-carbaldehyde
SMILESCCC1CC2(CC1C=O)OCCO2
InChIInChI=1S/C10H16O3/c1-2-8-5-10(6-9(8)7-11)12-3-4-13-10/h7-9H,2-6H2,1H3
InChIKeyNLBYLQFFNKSCHO-UHFFFAOYSA-N
XLogP1.36
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.23
LogP ≤ 51.36
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 7-ethyl-1,4-dioxaspiro[4.4]nonane-8-carbaldehyde?
The IUPAC name of 7-ethyl-1,4-dioxaspiro[4.4]nonane-8-carbaldehyde (CID 129130912) is 7-ethyl-1,4-dioxaspiro[4.4]nonane-8-carbaldehyde.
What is the SMILES notation for 7-ethyl-1,4-dioxaspiro[4.4]nonane-8-carbaldehyde?
The canonical SMILES for 7-ethyl-1,4-dioxaspiro[4.4]nonane-8-carbaldehyde is CCC1CC2(CC1C=O)OCCO2.
What is the InChIKey of 7-ethyl-1,4-dioxaspiro[4.4]nonane-8-carbaldehyde?
The InChIKey is NLBYLQFFNKSCHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O3/c1-2-8-5-10(6-9(8)7-11)12-3-4-13-10/h7-9H,2-6H2,1H3.
What are the key properties of 7-ethyl-1,4-dioxaspiro[4.4]nonane-8-carbaldehyde?
7-ethyl-1,4-dioxaspiro[4.4]nonane-8-carbaldehyde has a molecular weight of 184.23 g/mol, XLogP of 1.36, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethyl-1,4-dioxaspiro[4.4]nonane-8-carbaldehyde is sourced from PubChem (CID 129130912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).