2-(7-methyl-1,4-dioxaspiro[4.5]dec-7-en-8-yl)acetaldehyde

C11H16O3 — CID 10420207

IUPAC2-(7-methyl-1,4-dioxaspiro[4.5]dec-7-en-8-yl)acetaldehyde
SMILESCC1=C(CC=O)CCC2(C1)OCCO2
InChIInChI=1S/C11H16O3/c1-9-8-11(13-6-7-14-11)4-2-10(9)3-5-12/h5H,2-4,6-8H2,1H3
InChIKeyKFDZWLKYBCIPBY-UHFFFAOYSA-N
MW196.25 g/mol
LogP1.82
Rot. Bonds2

About 2-(7-methyl-1,4-dioxaspiro[4.5]dec-7-en-8-yl)acetaldehyde

2-(7-methyl-1,4-dioxaspiro[4.5]dec-7-en-8-yl)acetaldehyde (PubChem CID 10420207) has the molecular formula C11H16O3 and a molecular weight of 196.25 g/mol. Its IUPAC name is 2-(7-methyl-1,4-dioxaspiro[4.5]dec-7-en-8-yl)acetaldehyde.

Molecular Properties

Compound Name2-(7-methyl-1,4-dioxaspiro[4.5]dec-7-en-8-yl)acetaldehyde
PubChem CID10420207
Molecular FormulaC11H16O3
Molecular Weight196.25 g/mol
Exact Mass196.11
IUPAC Name2-(7-methyl-1,4-dioxaspiro[4.5]dec-7-en-8-yl)acetaldehyde
SMILESCC1=C(CC=O)CCC2(C1)OCCO2
InChIInChI=1S/C11H16O3/c1-9-8-11(13-6-7-14-11)4-2-10(9)3-5-12/h5H,2-4,6-8H2,1H3
InChIKeyKFDZWLKYBCIPBY-UHFFFAOYSA-N
XLogP1.82
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 51.82
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 2-(7-methyl-1,4-dioxaspiro[4.5]dec-7-en-8-yl)acetaldehyde?
The IUPAC name of 2-(7-methyl-1,4-dioxaspiro[4.5]dec-7-en-8-yl)acetaldehyde (CID 10420207) is 2-(7-methyl-1,4-dioxaspiro[4.5]dec-7-en-8-yl)acetaldehyde.
What is the SMILES notation for 2-(7-methyl-1,4-dioxaspiro[4.5]dec-7-en-8-yl)acetaldehyde?
The canonical SMILES for 2-(7-methyl-1,4-dioxaspiro[4.5]dec-7-en-8-yl)acetaldehyde is CC1=C(CC=O)CCC2(C1)OCCO2.
What is the InChIKey of 2-(7-methyl-1,4-dioxaspiro[4.5]dec-7-en-8-yl)acetaldehyde?
The InChIKey is KFDZWLKYBCIPBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O3/c1-9-8-11(13-6-7-14-11)4-2-10(9)3-5-12/h5H,2-4,6-8H2,1H3.
What are the key properties of 2-(7-methyl-1,4-dioxaspiro[4.5]dec-7-en-8-yl)acetaldehyde?
2-(7-methyl-1,4-dioxaspiro[4.5]dec-7-en-8-yl)acetaldehyde has a molecular weight of 196.25 g/mol, XLogP of 1.82, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-methyl-1,4-dioxaspiro[4.5]dec-7-en-8-yl)acetaldehyde is sourced from PubChem (CID 10420207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).