3-(7-methyl-1,4-dioxaspiro[4.5]decan-7-yl)propanal

C12H20O3 — CID 10632335

IUPAC3-(7-methyl-1,4-dioxaspiro[4.5]decan-7-yl)propanal
SMILESCC1(CCC=O)CCCC2(C1)OCCO2
InChIInChI=1S/C12H20O3/c1-11(5-3-7-13)4-2-6-12(10-11)14-8-9-15-12/h7H,2-6,8-10H2,1H3
InChIKeyUYRLFHHRMRKMOS-UHFFFAOYSA-N
MW212.29 g/mol
LogP2.29
Rot. Bonds3

About 3-(7-methyl-1,4-dioxaspiro[4.5]decan-7-yl)propanal

3-(7-methyl-1,4-dioxaspiro[4.5]decan-7-yl)propanal (PubChem CID 10632335) has the molecular formula C12H20O3 and a molecular weight of 212.29 g/mol. Its IUPAC name is 3-(7-methyl-1,4-dioxaspiro[4.5]decan-7-yl)propanal.

Molecular Properties

Compound Name3-(7-methyl-1,4-dioxaspiro[4.5]decan-7-yl)propanal
PubChem CID10632335
Molecular FormulaC12H20O3
Molecular Weight212.29 g/mol
Exact Mass212.14
IUPAC Name3-(7-methyl-1,4-dioxaspiro[4.5]decan-7-yl)propanal
SMILESCC1(CCC=O)CCCC2(C1)OCCO2
InChIInChI=1S/C12H20O3/c1-11(5-3-7-13)4-2-6-12(10-11)14-8-9-15-12/h7H,2-6,8-10H2,1H3
InChIKeyUYRLFHHRMRKMOS-UHFFFAOYSA-N
XLogP2.29
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 52.29
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-(7-methyl-1,4-dioxaspiro[4.5]decan-7-yl)ethanol
CID 121222293
(7S)-7-(methoxymethyl)-7-methyl-1,4-dioxaspiro[4.5]decane
CID 129379894
ethyl (2Z)-6-methyl-2-[3-(7-methyl-1,4-dioxaspiro[4.5]decan-7-yl)propylidene]hept-5-enoate
CID 10522810
3-(1-methylcyclopropyl)propanal
CID 22421116
3-(1,4-dimethylcyclohexyl)propanal
CID 167495572
(7R)-1,4-dioxadispiro[4.1.57.35]pentadec-8-ene;(7R)-7-(4-oxobutyl)-1,4-dioxaspiro[4.5]decane-7-carbaldehyde
CID 161005726
7-methyl-1,4-dioxaspiro[4.5]decane-7-carbonitrile
CID 10654993
6-(2-methyl-1,3-dioxolan-2-yl)hexanal
CID 11052346
3-(3,6-dimethyl-7-oxabicyclo[4.1.0]heptan-3-yl)propanal
CID 20523395
3-(1-methyl-4-propan-2-ylcyclohexyl)propanal
CID 87383202
1,4-dioxaspiro[4.4]nonane;ethane
CID 144903922
1,4-dioxaspiro[4.5]decane;ethane
CID 143191896

Frequently Asked Questions

What is the IUPAC name of 3-(7-methyl-1,4-dioxaspiro[4.5]decan-7-yl)propanal?
The IUPAC name of 3-(7-methyl-1,4-dioxaspiro[4.5]decan-7-yl)propanal (CID 10632335) is 3-(7-methyl-1,4-dioxaspiro[4.5]decan-7-yl)propanal.
What is the SMILES notation for 3-(7-methyl-1,4-dioxaspiro[4.5]decan-7-yl)propanal?
The canonical SMILES for 3-(7-methyl-1,4-dioxaspiro[4.5]decan-7-yl)propanal is CC1(CCC=O)CCCC2(C1)OCCO2.
What is the InChIKey of 3-(7-methyl-1,4-dioxaspiro[4.5]decan-7-yl)propanal?
The InChIKey is UYRLFHHRMRKMOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O3/c1-11(5-3-7-13)4-2-6-12(10-11)14-8-9-15-12/h7H,2-6,8-10H2,1H3.
What are the key properties of 3-(7-methyl-1,4-dioxaspiro[4.5]decan-7-yl)propanal?
3-(7-methyl-1,4-dioxaspiro[4.5]decan-7-yl)propanal has a molecular weight of 212.29 g/mol, XLogP of 2.29, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(7-methyl-1,4-dioxaspiro[4.5]decan-7-yl)propanal is sourced from PubChem (CID 10632335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).