7-methyl-1,4-dioxaspiro[4.5]dec-7-ene-8-carbaldehyde

C10H14O3 — CID 4645147

IUPAC7-methyl-1,4-dioxaspiro[4.5]dec-7-ene-8-carbaldehyde
SMILESCC1=C(C=O)CCC2(C1)OCCO2
InChIInChI=1S/C10H14O3/c1-8-6-10(12-4-5-13-10)3-2-9(8)7-11/h7H,2-6H2,1H3
InChIKeyNOQHSCBTBLIRGQ-UHFFFAOYSA-N
MW182.22 g/mol
LogP1.43
Rot. Bonds1

About 7-methyl-1,4-dioxaspiro[4.5]dec-7-ene-8-carbaldehyde

7-methyl-1,4-dioxaspiro[4.5]dec-7-ene-8-carbaldehyde (PubChem CID 4645147) has the molecular formula C10H14O3 and a molecular weight of 182.22 g/mol. Its IUPAC name is 7-methyl-1,4-dioxaspiro[4.5]dec-7-ene-8-carbaldehyde.

Molecular Properties

Compound Name7-methyl-1,4-dioxaspiro[4.5]dec-7-ene-8-carbaldehyde
PubChem CID4645147
Molecular FormulaC10H14O3
Molecular Weight182.22 g/mol
Exact Mass182.09
IUPAC Name7-methyl-1,4-dioxaspiro[4.5]dec-7-ene-8-carbaldehyde
SMILESCC1=C(C=O)CCC2(C1)OCCO2
InChIInChI=1S/C10H14O3/c1-8-6-10(12-4-5-13-10)3-2-9(8)7-11/h7H,2-6H2,1H3
InChIKeyNOQHSCBTBLIRGQ-UHFFFAOYSA-N
XLogP1.43
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 51.43
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-(6,6,8-Trimethyl-1,4-dioxaspiro[4.5]dec-7-en-7-yl)acetaldehyde
CID 11020537
1-Acetyl-4,4-ethylenedioxycyclohexene
CID 14165944
7,9,9-Trimethyl-1,4-dioxaspiro[4.5]dec-7-ene-8-carbaldehyde
CID 14240044
1,4-Dioxaspiro[4.5]dec-7-ene-8-carbaldehyde
CID 14753677
(Z)-2-methyl-3-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-4-oxopent-2-enal
CID 138527486
2-(7-Methyl-1,4-dioxaspiro[4.5]dec-7-en-8-yl)acetaldehyde
CID 10420207
3-Methyl-2-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]but-2-enal
CID 11095591
Spiro[1,3-dioxolane-2,3'-bicyclo[4.2.0]oct-1(6)-ene]-7'-one
CID 11116640
9-Ethyl-1,4-dioxaspiro[4.4]non-8-ene-8-carbaldehyde
CID 85585673

Frequently Asked Questions

What is the IUPAC name of 7-methyl-1,4-dioxaspiro[4.5]dec-7-ene-8-carbaldehyde?
The IUPAC name of 7-methyl-1,4-dioxaspiro[4.5]dec-7-ene-8-carbaldehyde (CID 4645147) is 7-methyl-1,4-dioxaspiro[4.5]dec-7-ene-8-carbaldehyde.
What is the SMILES notation for 7-methyl-1,4-dioxaspiro[4.5]dec-7-ene-8-carbaldehyde?
The canonical SMILES for 7-methyl-1,4-dioxaspiro[4.5]dec-7-ene-8-carbaldehyde is CC1=C(C=O)CCC2(C1)OCCO2.
What is the InChIKey of 7-methyl-1,4-dioxaspiro[4.5]dec-7-ene-8-carbaldehyde?
The InChIKey is NOQHSCBTBLIRGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O3/c1-8-6-10(12-4-5-13-10)3-2-9(8)7-11/h7H,2-6H2,1H3.
What are the key properties of 7-methyl-1,4-dioxaspiro[4.5]dec-7-ene-8-carbaldehyde?
7-methyl-1,4-dioxaspiro[4.5]dec-7-ene-8-carbaldehyde has a molecular weight of 182.22 g/mol, XLogP of 1.43, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-1,4-dioxaspiro[4.5]dec-7-ene-8-carbaldehyde is sourced from PubChem (CID 4645147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).