2-[3-(triethoxymethyl)cyclopentyl]acetaldehyde

C14H26O4 — CID 151450928

IUPAC2-[3-(triethoxymethyl)cyclopentyl]acetaldehyde
SMILESCCOC(OCC)(OCC)C1CCC(CC=O)C1
InChIInChI=1S/C14H26O4/c1-4-16-14(17-5-2,18-6-3)13-8-7-12(11-13)9-10-15/h10,12-13H,4-9,11H2,1-3H3
InChIKeyPGLYXSTWJDNEFI-UHFFFAOYSA-N
MW258.36 g/mol
LogP2.76
Rot. Bonds9

About 2-[3-(triethoxymethyl)cyclopentyl]acetaldehyde

2-[3-(triethoxymethyl)cyclopentyl]acetaldehyde (PubChem CID 151450928) has the molecular formula C14H26O4 and a molecular weight of 258.36 g/mol. Its IUPAC name is 2-[3-(triethoxymethyl)cyclopentyl]acetaldehyde.

Molecular Properties

Compound Name2-[3-(triethoxymethyl)cyclopentyl]acetaldehyde
PubChem CID151450928
Molecular FormulaC14H26O4
Molecular Weight258.36 g/mol
Exact Mass258.18
IUPAC Name2-[3-(triethoxymethyl)cyclopentyl]acetaldehyde
SMILESCCOC(OCC)(OCC)C1CCC(CC=O)C1
InChIInChI=1S/C14H26O4/c1-4-16-14(17-5-2,18-6-3)13-8-7-12(11-13)9-10-15/h10,12-13H,4-9,11H2,1-3H3
InChIKeyPGLYXSTWJDNEFI-UHFFFAOYSA-N
XLogP2.76
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-ethyl-4-(triethoxymethyl)cyclohexane
CID 65390728
triethoxymethylcyclobutane
CID 64986091
2-[4-(ethylaminomethyl)cyclohexyl]acetaldehyde
CID 87141647
2-(3-sulfanyloxycyclohexyl)acetaldehyde
CID 142936534
2-[4-(tert-butylamino)cyclohexyl]acetaldehyde
CID 175732114
2-(oxan-4-yl)acetaldehyde;propane
CID 145213291
2-(3-methylazocan-5-yl)acetaldehyde
CID 170064553
2-cyclopentylacetaldehyde;2-cyclopentylethanol
CID 158462189
[1,2,2-triethoxy-2-[4-(1,1,2-triethoxy-2-silylethyl)cyclohexyl]ethyl]silane
CID 173236882
2-[(1S,3R)-3-[tert-butyl(diphenyl)silyl]oxycyclohexyl]acetaldehyde
CID 86594888
1-cyclopentyl-3-ethoxy-3-ethylpentan-2-one
CID 116747218
2-(5-methoxyoxolan-3-yl)acetaldehyde
CID 130035371

Frequently Asked Questions

What is the IUPAC name of 2-[3-(triethoxymethyl)cyclopentyl]acetaldehyde?
The IUPAC name of 2-[3-(triethoxymethyl)cyclopentyl]acetaldehyde (CID 151450928) is 2-[3-(triethoxymethyl)cyclopentyl]acetaldehyde.
What is the SMILES notation for 2-[3-(triethoxymethyl)cyclopentyl]acetaldehyde?
The canonical SMILES for 2-[3-(triethoxymethyl)cyclopentyl]acetaldehyde is CCOC(OCC)(OCC)C1CCC(CC=O)C1.
What is the InChIKey of 2-[3-(triethoxymethyl)cyclopentyl]acetaldehyde?
The InChIKey is PGLYXSTWJDNEFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O4/c1-4-16-14(17-5-2,18-6-3)13-8-7-12(11-13)9-10-15/h10,12-13H,4-9,11H2,1-3H3.
What are the key properties of 2-[3-(triethoxymethyl)cyclopentyl]acetaldehyde?
2-[3-(triethoxymethyl)cyclopentyl]acetaldehyde has a molecular weight of 258.36 g/mol, XLogP of 2.76, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(triethoxymethyl)cyclopentyl]acetaldehyde is sourced from PubChem (CID 151450928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).