2-(2-propyl-1,3-dioxolan-2-yl)butanal

C10H18O3 — CID 13432065

IUPAC2-(2-propyl-1,3-dioxolan-2-yl)butanal
SMILESCCCC1(C(C=O)CC)OCCO1
InChIInChI=1S/C10H18O3/c1-3-5-10(9(4-2)8-11)12-6-7-13-10/h8-9H,3-7H2,1-2H3
InChIKeyJSBBQPBYAPNYMH-UHFFFAOYSA-N
MW186.25 g/mol
LogP1.75
Rot. Bonds5

About 2-(2-propyl-1,3-dioxolan-2-yl)butanal

2-(2-propyl-1,3-dioxolan-2-yl)butanal (PubChem CID 13432065) has the molecular formula C10H18O3 and a molecular weight of 186.25 g/mol. Its IUPAC name is 2-(2-propyl-1,3-dioxolan-2-yl)butanal.

Molecular Properties

Compound Name2-(2-propyl-1,3-dioxolan-2-yl)butanal
PubChem CID13432065
Molecular FormulaC10H18O3
Molecular Weight186.25 g/mol
Exact Mass186.13
IUPAC Name2-(2-propyl-1,3-dioxolan-2-yl)butanal
SMILESCCCC1(C(C=O)CC)OCCO1
InChIInChI=1S/C10H18O3/c1-3-5-10(9(4-2)8-11)12-6-7-13-10/h8-9H,3-7H2,1-2H3
InChIKeyJSBBQPBYAPNYMH-UHFFFAOYSA-N
XLogP1.75
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
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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Frequently Asked Questions

What is the IUPAC name of 2-(2-propyl-1,3-dioxolan-2-yl)butanal?
The IUPAC name of 2-(2-propyl-1,3-dioxolan-2-yl)butanal (CID 13432065) is 2-(2-propyl-1,3-dioxolan-2-yl)butanal.
What is the SMILES notation for 2-(2-propyl-1,3-dioxolan-2-yl)butanal?
The canonical SMILES for 2-(2-propyl-1,3-dioxolan-2-yl)butanal is CCCC1(C(C=O)CC)OCCO1.
What is the InChIKey of 2-(2-propyl-1,3-dioxolan-2-yl)butanal?
The InChIKey is JSBBQPBYAPNYMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O3/c1-3-5-10(9(4-2)8-11)12-6-7-13-10/h8-9H,3-7H2,1-2H3.
What are the key properties of 2-(2-propyl-1,3-dioxolan-2-yl)butanal?
2-(2-propyl-1,3-dioxolan-2-yl)butanal has a molecular weight of 186.25 g/mol, XLogP of 1.75, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-propyl-1,3-dioxolan-2-yl)butanal is sourced from PubChem (CID 13432065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).