1-(2-propyl-1,3-dioxolan-2-yl)cyclopropane-1-carbaldehyde

C10H16O3 — CID 22042332

IUPAC1-(2-propyl-1,3-dioxolan-2-yl)cyclopropane-1-carbaldehyde
SMILESCCCC1(C2(C=O)CC2)OCCO1
InChIInChI=1S/C10H16O3/c1-2-3-10(12-6-7-13-10)9(8-11)4-5-9/h8H,2-7H2,1H3
InChIKeyQOXAKUJIMCMLPI-UHFFFAOYSA-N
MW184.23 g/mol
LogP1.51
Rot. Bonds4

About 1-(2-propyl-1,3-dioxolan-2-yl)cyclopropane-1-carbaldehyde

1-(2-propyl-1,3-dioxolan-2-yl)cyclopropane-1-carbaldehyde (PubChem CID 22042332) has the molecular formula C10H16O3 and a molecular weight of 184.23 g/mol. Its IUPAC name is 1-(2-propyl-1,3-dioxolan-2-yl)cyclopropane-1-carbaldehyde.

Molecular Properties

Compound Name1-(2-propyl-1,3-dioxolan-2-yl)cyclopropane-1-carbaldehyde
PubChem CID22042332
Molecular FormulaC10H16O3
Molecular Weight184.23 g/mol
Exact Mass184.11
IUPAC Name1-(2-propyl-1,3-dioxolan-2-yl)cyclopropane-1-carbaldehyde
SMILESCCCC1(C2(C=O)CC2)OCCO1
InChIInChI=1S/C10H16O3/c1-2-3-10(12-6-7-13-10)9(8-11)4-5-9/h8H,2-7H2,1H3
InChIKeyQOXAKUJIMCMLPI-UHFFFAOYSA-N
XLogP1.51
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.23
LogP ≤ 51.51
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 1-(2-propyl-1,3-dioxolan-2-yl)cyclopropane-1-carbaldehyde?
The IUPAC name of 1-(2-propyl-1,3-dioxolan-2-yl)cyclopropane-1-carbaldehyde (CID 22042332) is 1-(2-propyl-1,3-dioxolan-2-yl)cyclopropane-1-carbaldehyde.
What is the SMILES notation for 1-(2-propyl-1,3-dioxolan-2-yl)cyclopropane-1-carbaldehyde?
The canonical SMILES for 1-(2-propyl-1,3-dioxolan-2-yl)cyclopropane-1-carbaldehyde is CCCC1(C2(C=O)CC2)OCCO1.
What is the InChIKey of 1-(2-propyl-1,3-dioxolan-2-yl)cyclopropane-1-carbaldehyde?
The InChIKey is QOXAKUJIMCMLPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O3/c1-2-3-10(12-6-7-13-10)9(8-11)4-5-9/h8H,2-7H2,1H3.
What are the key properties of 1-(2-propyl-1,3-dioxolan-2-yl)cyclopropane-1-carbaldehyde?
1-(2-propyl-1,3-dioxolan-2-yl)cyclopropane-1-carbaldehyde has a molecular weight of 184.23 g/mol, XLogP of 1.51, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-propyl-1,3-dioxolan-2-yl)cyclopropane-1-carbaldehyde is sourced from PubChem (CID 22042332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).