2-(cyclopropylmethoxymethoxy)-4-propoxybenzaldehyde

C15H20O4 — CID 106929613

IUPAC2-(cyclopropylmethoxymethoxy)-4-propoxybenzaldehyde
SMILESCCCOc1ccc(C=O)c(OCOCC2CC2)c1
InChIInChI=1S/C15H20O4/c1-2-7-18-14-6-5-13(9-16)15(8-14)19-11-17-10-12-3-4-12/h5-6,8-9,12H,2-4,7,10-11H2,1H3
InChIKeyIWWFKSRSIQVGJT-UHFFFAOYSA-N
MW264.32 g/mol
LogP3.05
Rot. Bonds9

About 2-(cyclopropylmethoxymethoxy)-4-propoxybenzaldehyde

2-(cyclopropylmethoxymethoxy)-4-propoxybenzaldehyde (PubChem CID 106929613) has the molecular formula C15H20O4 and a molecular weight of 264.32 g/mol. Its IUPAC name is 2-(cyclopropylmethoxymethoxy)-4-propoxybenzaldehyde.

Molecular Properties

Compound Name2-(cyclopropylmethoxymethoxy)-4-propoxybenzaldehyde
PubChem CID106929613
Molecular FormulaC15H20O4
Molecular Weight264.32 g/mol
Exact Mass264.14
IUPAC Name2-(cyclopropylmethoxymethoxy)-4-propoxybenzaldehyde
SMILESCCCOc1ccc(C=O)c(OCOCC2CC2)c1
InChIInChI=1S/C15H20O4/c1-2-7-18-14-6-5-13(9-16)15(8-14)19-11-17-10-12-3-4-12/h5-6,8-9,12H,2-4,7,10-11H2,1H3
InChIKeyIWWFKSRSIQVGJT-UHFFFAOYSA-N
XLogP3.05
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylmethoxymethoxy)-4-propoxybenzaldehyde?
The IUPAC name of 2-(cyclopropylmethoxymethoxy)-4-propoxybenzaldehyde (CID 106929613) is 2-(cyclopropylmethoxymethoxy)-4-propoxybenzaldehyde.
What is the SMILES notation for 2-(cyclopropylmethoxymethoxy)-4-propoxybenzaldehyde?
The canonical SMILES for 2-(cyclopropylmethoxymethoxy)-4-propoxybenzaldehyde is CCCOc1ccc(C=O)c(OCOCC2CC2)c1.
What is the InChIKey of 2-(cyclopropylmethoxymethoxy)-4-propoxybenzaldehyde?
The InChIKey is IWWFKSRSIQVGJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O4/c1-2-7-18-14-6-5-13(9-16)15(8-14)19-11-17-10-12-3-4-12/h5-6,8-9,12H,2-4,7,10-11H2,1H3.
What are the key properties of 2-(cyclopropylmethoxymethoxy)-4-propoxybenzaldehyde?
2-(cyclopropylmethoxymethoxy)-4-propoxybenzaldehyde has a molecular weight of 264.32 g/mol, XLogP of 3.05, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylmethoxymethoxy)-4-propoxybenzaldehyde is sourced from PubChem (CID 106929613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).