4,5-dipropyl-1,3-dioxole-2-carbaldehyde

C10H16O3 — CID 174516284

IUPAC4,5-dipropyl-1,3-dioxole-2-carbaldehyde
SMILESCCCC1=C(CCC)OC(C=O)O1
InChIInChI=1S/C10H16O3/c1-3-5-8-9(6-4-2)13-10(7-11)12-8/h7,10H,3-6H2,1-2H3
InChIKeyKVKNTXDQZBNBJX-UHFFFAOYSA-N
MW184.23 g/mol
LogP2.37
Rot. Bonds5

About 4,5-dipropyl-1,3-dioxole-2-carbaldehyde

4,5-dipropyl-1,3-dioxole-2-carbaldehyde (PubChem CID 174516284) has the molecular formula C10H16O3 and a molecular weight of 184.23 g/mol. Its IUPAC name is 4,5-dipropyl-1,3-dioxole-2-carbaldehyde.

Molecular Properties

Compound Name4,5-dipropyl-1,3-dioxole-2-carbaldehyde
PubChem CID174516284
Molecular FormulaC10H16O3
Molecular Weight184.23 g/mol
Exact Mass184.11
IUPAC Name4,5-dipropyl-1,3-dioxole-2-carbaldehyde
SMILESCCCC1=C(CCC)OC(C=O)O1
InChIInChI=1S/C10H16O3/c1-3-5-8-9(6-4-2)13-10(7-11)12-8/h7,10H,3-6H2,1-2H3
InChIKeyKVKNTXDQZBNBJX-UHFFFAOYSA-N
XLogP2.37
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.23
LogP ≤ 52.37
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

4-butyl-1,3-dioxole-2-carbaldehyde
CID 174516282
4,4-diethyl-5-methylidene-1,3-dioxolane-2-carbaldehyde
CID 174557569
4-hexyl-5-methylidene-1,3-dioxolane-2-carbaldehyde
CID 174828507
3,4,5-trichloro-6-propyl-3,4-dihydropyran-2-one
CID 71382427
4-methyl-5-propyl-3H-furan-2-one
CID 139957122
4,4-dimethyl-1,3-dioxetane-2-carbaldehyde
CID 23218533
3-heptyloxirene-2-carbaldehyde
CID 87090104
oxiran-2-ylmethyl prop-2-enoate;3-propyloxirene-2-carboxylic acid
CID 158651798
1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-2-carbaldehyde
CID 62654263
(2R,3R)-3-propyloxirane-2-carbaldehyde
CID 101237657
calcium;hydride;4-propylcyclohepta-2,4,6-triene-1-carbaldehyde
CID 174715871
butane;oxaldehyde
CID 87585246

Frequently Asked Questions

What is the IUPAC name of 4,5-dipropyl-1,3-dioxole-2-carbaldehyde?
The IUPAC name of 4,5-dipropyl-1,3-dioxole-2-carbaldehyde (CID 174516284) is 4,5-dipropyl-1,3-dioxole-2-carbaldehyde.
What is the SMILES notation for 4,5-dipropyl-1,3-dioxole-2-carbaldehyde?
The canonical SMILES for 4,5-dipropyl-1,3-dioxole-2-carbaldehyde is CCCC1=C(CCC)OC(C=O)O1.
What is the InChIKey of 4,5-dipropyl-1,3-dioxole-2-carbaldehyde?
The InChIKey is KVKNTXDQZBNBJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O3/c1-3-5-8-9(6-4-2)13-10(7-11)12-8/h7,10H,3-6H2,1-2H3.
What are the key properties of 4,5-dipropyl-1,3-dioxole-2-carbaldehyde?
4,5-dipropyl-1,3-dioxole-2-carbaldehyde has a molecular weight of 184.23 g/mol, XLogP of 2.37, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dipropyl-1,3-dioxole-2-carbaldehyde is sourced from PubChem (CID 174516284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).