3-(5,5-dimethyl-1,3-dioxan-2-ylidene)-2-methylpropanal

C10H16O3 — CID 91609603

IUPAC3-(5,5-dimethyl-1,3-dioxan-2-ylidene)-2-methylpropanal
SMILESCC(C=O)C=C1OCC(C)(C)CO1
InChIInChI=1S/C10H16O3/c1-8(5-11)4-9-12-6-10(2,3)7-13-9/h4-5,8H,6-7H2,1-3H3
InChIKeyKBZZDOOMUZMZIY-UHFFFAOYSA-N
MW184.24 g/mol
LogP1.74
Rot. Bonds2

About 3-(5,5-dimethyl-1,3-dioxan-2-ylidene)-2-methylpropanal

3-(5,5-dimethyl-1,3-dioxan-2-ylidene)-2-methylpropanal (PubChem CID 91609603) has the molecular formula C10H16O3 and a molecular weight of 184.24 g/mol. Its IUPAC name is 3-(5,5-dimethyl-1,3-dioxan-2-ylidene)-2-methylpropanal.

Molecular Properties

Compound Name3-(5,5-dimethyl-1,3-dioxan-2-ylidene)-2-methylpropanal
PubChem CID91609603
Molecular FormulaC10H16O3
Molecular Weight184.24 g/mol
Exact Mass184.11
IUPAC Name3-(5,5-dimethyl-1,3-dioxan-2-ylidene)-2-methylpropanal
SMILESCC(C=O)C=C1OCC(C)(C)CO1
InChIInChI=1S/C10H16O3/c1-8(5-11)4-9-12-6-10(2,3)7-13-9/h4-5,8H,6-7H2,1-3H3
InChIKeyKBZZDOOMUZMZIY-UHFFFAOYSA-N
XLogP1.74
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.24
LogP ≤ 51.74
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

7,7-dimethyl-1,3,5-trioxocane-2,4-dione
CID 88770359
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CID 604363
3,3-dimethyl-6,8-di(propan-2-yl)-2,4-dihydrothieno[3,4-b][1,4]dioxepine
CID 129037951
6,6-dimethyl-3-methylidene-1,4,2-dioxazepane
CID 123904358
2,3-bis(ethenyl)-6,6-dimethyl-5,7-dihydro-1,4-dioxepine
CID 156792165
3-(3,3-dimethyl-2,4-dihydro-1,5-benzodioxepin-7-yl)butanal
CID 117373816
3,3-dimethyl-1,5-dioxacyclohexadecane-6,16-dione
CID 70605767
6,6-dimethyl-1,4-dioxepan-2-one
CID 10219498
3-(7-bromo-3,3-dimethyl-2,4-dihydro-1,5-benzodioxepin-8-yl)propanal
CID 117498435
2-cyclopropylidene-5,5-dimethyl-1,3-dioxane
CID 11008141
2-(2-ethenyl-2-methyl-3H-furan-5-yl)propanal
CID 11240691
7-bromo-3,3-dimethyl-2,4-dihydro-1,5-benzodioxepine-8-carboxylic acid
CID 117484663

Frequently Asked Questions

What is the IUPAC name of 3-(5,5-dimethyl-1,3-dioxan-2-ylidene)-2-methylpropanal?
The IUPAC name of 3-(5,5-dimethyl-1,3-dioxan-2-ylidene)-2-methylpropanal (CID 91609603) is 3-(5,5-dimethyl-1,3-dioxan-2-ylidene)-2-methylpropanal.
What is the SMILES notation for 3-(5,5-dimethyl-1,3-dioxan-2-ylidene)-2-methylpropanal?
The canonical SMILES for 3-(5,5-dimethyl-1,3-dioxan-2-ylidene)-2-methylpropanal is CC(C=O)C=C1OCC(C)(C)CO1.
What is the InChIKey of 3-(5,5-dimethyl-1,3-dioxan-2-ylidene)-2-methylpropanal?
The InChIKey is KBZZDOOMUZMZIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O3/c1-8(5-11)4-9-12-6-10(2,3)7-13-9/h4-5,8H,6-7H2,1-3H3.
What are the key properties of 3-(5,5-dimethyl-1,3-dioxan-2-ylidene)-2-methylpropanal?
3-(5,5-dimethyl-1,3-dioxan-2-ylidene)-2-methylpropanal has a molecular weight of 184.24 g/mol, XLogP of 1.74, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5,5-dimethyl-1,3-dioxan-2-ylidene)-2-methylpropanal is sourced from PubChem (CID 91609603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).