5-[2-(1,3-dioxolan-2-yl)ethyl]-2-methylcyclopentene-1-carbaldehyde

C12H18O3 — CID 552564

IUPAC5-[2-(1,3-dioxolan-2-yl)ethyl]-2-methylcyclopentene-1-carbaldehyde
SMILESCC1=C(C=O)C(CCC2OCCO2)CC1
InChIInChI=1S/C12H18O3/c1-9-2-3-10(11(9)8-13)4-5-12-14-6-7-15-12/h8,10,12H,2-7H2,1H3
InChIKeyWPXZWQGGFDURMP-UHFFFAOYSA-N
MW210.27 g/mol
LogP2.06
Rot. Bonds4

About 5-[2-(1,3-dioxolan-2-yl)ethyl]-2-methylcyclopentene-1-carbaldehyde

5-[2-(1,3-dioxolan-2-yl)ethyl]-2-methylcyclopentene-1-carbaldehyde (PubChem CID 552564) has the molecular formula C12H18O3 and a molecular weight of 210.27 g/mol. Its IUPAC name is 5-[2-(1,3-dioxolan-2-yl)ethyl]-2-methylcyclopentene-1-carbaldehyde.

Molecular Properties

Compound Name5-[2-(1,3-dioxolan-2-yl)ethyl]-2-methylcyclopentene-1-carbaldehyde
PubChem CID552564
Molecular FormulaC12H18O3
Molecular Weight210.27 g/mol
Exact Mass210.13
IUPAC Name5-[2-(1,3-dioxolan-2-yl)ethyl]-2-methylcyclopentene-1-carbaldehyde
SMILESCC1=C(C=O)C(CCC2OCCO2)CC1
InChIInChI=1S/C12H18O3/c1-9-2-3-10(11(9)8-13)4-5-12-14-6-7-15-12/h8,10,12H,2-7H2,1H3
InChIKeyWPXZWQGGFDURMP-UHFFFAOYSA-N
XLogP2.06
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.27
LogP ≤ 52.06
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 5-[2-(1,3-dioxolan-2-yl)ethyl]-2-methylcyclopentene-1-carbaldehyde?
The IUPAC name of 5-[2-(1,3-dioxolan-2-yl)ethyl]-2-methylcyclopentene-1-carbaldehyde (CID 552564) is 5-[2-(1,3-dioxolan-2-yl)ethyl]-2-methylcyclopentene-1-carbaldehyde.
What is the SMILES notation for 5-[2-(1,3-dioxolan-2-yl)ethyl]-2-methylcyclopentene-1-carbaldehyde?
The canonical SMILES for 5-[2-(1,3-dioxolan-2-yl)ethyl]-2-methylcyclopentene-1-carbaldehyde is CC1=C(C=O)C(CCC2OCCO2)CC1.
What is the InChIKey of 5-[2-(1,3-dioxolan-2-yl)ethyl]-2-methylcyclopentene-1-carbaldehyde?
The InChIKey is WPXZWQGGFDURMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O3/c1-9-2-3-10(11(9)8-13)4-5-12-14-6-7-15-12/h8,10,12H,2-7H2,1H3.
What are the key properties of 5-[2-(1,3-dioxolan-2-yl)ethyl]-2-methylcyclopentene-1-carbaldehyde?
5-[2-(1,3-dioxolan-2-yl)ethyl]-2-methylcyclopentene-1-carbaldehyde has a molecular weight of 210.27 g/mol, XLogP of 2.06, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(1,3-dioxolan-2-yl)ethyl]-2-methylcyclopentene-1-carbaldehyde is sourced from PubChem (CID 552564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).