2-(7,7-dimethyl-1,4-dioxaspiro[4.4]nonan-9-yl)acetaldehyde

C11H18O3 — CID 10910494

IUPAC2-(7,7-dimethyl-1,4-dioxaspiro[4.4]nonan-9-yl)acetaldehyde
SMILESCC1(C)CC(CC=O)C2(C1)OCCO2
InChIInChI=1S/C11H18O3/c1-10(2)7-9(3-4-12)11(8-10)13-5-6-14-11/h4,9H,3,5-8H2,1-2H3
InChIKeyTWWNFEDDVKEWDD-UHFFFAOYSA-N
MW198.26 g/mol
LogP1.75
Rot. Bonds2

About 2-(7,7-dimethyl-1,4-dioxaspiro[4.4]nonan-9-yl)acetaldehyde

2-(7,7-dimethyl-1,4-dioxaspiro[4.4]nonan-9-yl)acetaldehyde (PubChem CID 10910494) has the molecular formula C11H18O3 and a molecular weight of 198.26 g/mol. Its IUPAC name is 2-(7,7-dimethyl-1,4-dioxaspiro[4.4]nonan-9-yl)acetaldehyde.

Molecular Properties

Compound Name2-(7,7-dimethyl-1,4-dioxaspiro[4.4]nonan-9-yl)acetaldehyde
PubChem CID10910494
Molecular FormulaC11H18O3
Molecular Weight198.26 g/mol
Exact Mass198.13
IUPAC Name2-(7,7-dimethyl-1,4-dioxaspiro[4.4]nonan-9-yl)acetaldehyde
SMILESCC1(C)CC(CC=O)C2(C1)OCCO2
InChIInChI=1S/C11H18O3/c1-10(2)7-9(3-4-12)11(8-10)13-5-6-14-11/h4,9H,3,5-8H2,1-2H3
InChIKeyTWWNFEDDVKEWDD-UHFFFAOYSA-N
XLogP1.75
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.26
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(4,4-dimethyl-2-prop-1-en-2-ylcyclopentyl)acetaldehyde
CID 72819468
2-[(1R,3R)-3-acetyl-2,2-dimethylcyclobutyl]acetaldehyde
CID 12600914
2-(2,2,3-trimethylcyclopentyl)acetaldehyde
CID 22414255
2-propyl-4,7-dioxaspiro[2.4]heptane
CID 134922933
2-(3-hydroxy-3-methylcyclobutyl)acetaldehyde
CID 171787083
2-(2,2,3,3-tetrafluorocyclobutyl)acetaldehyde
CID 168979640
2-(2-methyloxiran-2-yl)acetaldehyde
CID 14691612
2-[2-(3-oxobutyl)-1,3-dioxolan-2-yl]acetaldehyde
CID 71390522
9-ethenyl-7,7-dimethyl-1,4-dioxaspiro[4.5]decane
CID 14172406
2-(3,3-dimethyl-5-oxocyclohexyl)acetaldehyde
CID 101399520
2-(2,2,3-trimethyl-1,3-oxazolidin-4-yl)acetaldehyde
CID 22971630
2-[2,2-dimethyl-3-(2-oxopropyl)cyclopropyl]acetaldehyde
CID 10888310

Frequently Asked Questions

What is the IUPAC name of 2-(7,7-dimethyl-1,4-dioxaspiro[4.4]nonan-9-yl)acetaldehyde?
The IUPAC name of 2-(7,7-dimethyl-1,4-dioxaspiro[4.4]nonan-9-yl)acetaldehyde (CID 10910494) is 2-(7,7-dimethyl-1,4-dioxaspiro[4.4]nonan-9-yl)acetaldehyde.
What is the SMILES notation for 2-(7,7-dimethyl-1,4-dioxaspiro[4.4]nonan-9-yl)acetaldehyde?
The canonical SMILES for 2-(7,7-dimethyl-1,4-dioxaspiro[4.4]nonan-9-yl)acetaldehyde is CC1(C)CC(CC=O)C2(C1)OCCO2.
What is the InChIKey of 2-(7,7-dimethyl-1,4-dioxaspiro[4.4]nonan-9-yl)acetaldehyde?
The InChIKey is TWWNFEDDVKEWDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O3/c1-10(2)7-9(3-4-12)11(8-10)13-5-6-14-11/h4,9H,3,5-8H2,1-2H3.
What are the key properties of 2-(7,7-dimethyl-1,4-dioxaspiro[4.4]nonan-9-yl)acetaldehyde?
2-(7,7-dimethyl-1,4-dioxaspiro[4.4]nonan-9-yl)acetaldehyde has a molecular weight of 198.26 g/mol, XLogP of 1.75, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7,7-dimethyl-1,4-dioxaspiro[4.4]nonan-9-yl)acetaldehyde is sourced from PubChem (CID 10910494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).