4-(2-methyl-1,3-dioxolan-2-yl)benzaldehyde

C11H12O3 — CID 11961584

IUPAC4-(2-methyl-1,3-dioxolan-2-yl)benzaldehyde
SMILESCC1(c2ccc(C=O)cc2)OCCO1
InChIInChI=1S/C11H12O3/c1-11(13-6-7-14-11)10-4-2-9(8-12)3-5-10/h2-5,8H,6-7H2,1H3
InChIKeyQCBSHOMDNLCSSL-UHFFFAOYSA-N
MW192.21 g/mol
LogP1.72
Rot. Bonds2

About 4-(2-methyl-1,3-dioxolan-2-yl)benzaldehyde

4-(2-methyl-1,3-dioxolan-2-yl)benzaldehyde (PubChem CID 11961584) has the molecular formula C11H12O3 and a molecular weight of 192.21 g/mol. Its IUPAC name is 4-(2-methyl-1,3-dioxolan-2-yl)benzaldehyde.

Molecular Properties

Compound Name4-(2-methyl-1,3-dioxolan-2-yl)benzaldehyde
PubChem CID11961584
Molecular FormulaC11H12O3
Molecular Weight192.21 g/mol
Exact Mass192.08
IUPAC Name4-(2-methyl-1,3-dioxolan-2-yl)benzaldehyde
SMILESCC1(c2ccc(C=O)cc2)OCCO1
InChIInChI=1S/C11H12O3/c1-11(13-6-7-14-11)10-4-2-9(8-12)3-5-10/h2-5,8H,6-7H2,1H3
InChIKeyQCBSHOMDNLCSSL-UHFFFAOYSA-N
XLogP1.72
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.21
LogP ≤ 51.72
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 4-(2-methyl-1,3-dioxolan-2-yl)benzaldehyde?
The IUPAC name of 4-(2-methyl-1,3-dioxolan-2-yl)benzaldehyde (CID 11961584) is 4-(2-methyl-1,3-dioxolan-2-yl)benzaldehyde.
What is the SMILES notation for 4-(2-methyl-1,3-dioxolan-2-yl)benzaldehyde?
The canonical SMILES for 4-(2-methyl-1,3-dioxolan-2-yl)benzaldehyde is CC1(c2ccc(C=O)cc2)OCCO1.
What is the InChIKey of 4-(2-methyl-1,3-dioxolan-2-yl)benzaldehyde?
The InChIKey is QCBSHOMDNLCSSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12O3/c1-11(13-6-7-14-11)10-4-2-9(8-12)3-5-10/h2-5,8H,6-7H2,1H3.
What are the key properties of 4-(2-methyl-1,3-dioxolan-2-yl)benzaldehyde?
4-(2-methyl-1,3-dioxolan-2-yl)benzaldehyde has a molecular weight of 192.21 g/mol, XLogP of 1.72, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methyl-1,3-dioxolan-2-yl)benzaldehyde is sourced from PubChem (CID 11961584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).