2-[4-(methoxymethyl)-1-bicyclo[2.2.1]heptanyl]acetaldehyde

C11H18O2 — CID 169273742

IUPAC2-[4-(methoxymethyl)-1-bicyclo[2.2.1]heptanyl]acetaldehyde
SMILESCOCC12CCC(CC=O)(CC1)C2
InChIInChI=1S/C11H18O2/c1-13-9-11-4-2-10(8-11,3-5-11)6-7-12/h7H,2-6,8-9H2,1H3
InChIKeyDBIYPWOBKCMMBM-UHFFFAOYSA-N
MW182.26 g/mol
LogP2.17
Rot. Bonds4

About 2-[4-(methoxymethyl)-1-bicyclo[2.2.1]heptanyl]acetaldehyde

2-[4-(methoxymethyl)-1-bicyclo[2.2.1]heptanyl]acetaldehyde (PubChem CID 169273742) has the molecular formula C11H18O2 and a molecular weight of 182.26 g/mol. Its IUPAC name is 2-[4-(methoxymethyl)-1-bicyclo[2.2.1]heptanyl]acetaldehyde.

Molecular Properties

Compound Name2-[4-(methoxymethyl)-1-bicyclo[2.2.1]heptanyl]acetaldehyde
PubChem CID169273742
Molecular FormulaC11H18O2
Molecular Weight182.26 g/mol
Exact Mass182.13
IUPAC Name2-[4-(methoxymethyl)-1-bicyclo[2.2.1]heptanyl]acetaldehyde
SMILESCOCC12CCC(CC=O)(CC1)C2
InChIInChI=1S/C11H18O2/c1-13-9-11-4-2-10(8-11,3-5-11)6-7-12/h7H,2-6,8-9H2,1H3
InChIKeyDBIYPWOBKCMMBM-UHFFFAOYSA-N
XLogP2.17
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.26
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

methyl 4-(2-oxoethyl)bicyclo[2.2.1]heptane-1-carboxylate
CID 135392728
methyl 4-(2-oxoethyl)bicyclo[2.2.2]octane-1-carboxylate
CID 163320994
[3-(methoxymethyl)-1-bicyclo[1.1.1]pentanyl]methanamine
CID 155893295
5-(methoxymethyl)-N-phosphanylbicyclo[3.2.2]nonan-1-amine
CID 90362814
tert-butyl-[[4-(methoxymethyl)-1-bicyclo[2.2.1]heptanyl]oxy]-dimethylsilane
CID 175958515
2-(1-methylcyclopropyl)acetaldehyde
CID 13464501
1-(methoxymethyl)-3,3,5,5-tetramethylcyclohexane-1-carbaldehyde
CID 164659254
8-(methoxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine;methyl formate
CID 171786358
3-(methoxymethyl)-N-methylbicyclo[1.1.1]pentan-1-amine
CID 155893071
2-(1-bicyclo[1.1.1]pentanyl)acetaldehyde
CID 131010906
2-(4-methoxyoxan-4-yl)acetaldehyde
CID 105430923
2-(4-methylpiperidin-4-yl)acetaldehyde
CID 59311929

Frequently Asked Questions

What is the IUPAC name of 2-[4-(methoxymethyl)-1-bicyclo[2.2.1]heptanyl]acetaldehyde?
The IUPAC name of 2-[4-(methoxymethyl)-1-bicyclo[2.2.1]heptanyl]acetaldehyde (CID 169273742) is 2-[4-(methoxymethyl)-1-bicyclo[2.2.1]heptanyl]acetaldehyde.
What is the SMILES notation for 2-[4-(methoxymethyl)-1-bicyclo[2.2.1]heptanyl]acetaldehyde?
The canonical SMILES for 2-[4-(methoxymethyl)-1-bicyclo[2.2.1]heptanyl]acetaldehyde is COCC12CCC(CC=O)(CC1)C2.
What is the InChIKey of 2-[4-(methoxymethyl)-1-bicyclo[2.2.1]heptanyl]acetaldehyde?
The InChIKey is DBIYPWOBKCMMBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O2/c1-13-9-11-4-2-10(8-11,3-5-11)6-7-12/h7H,2-6,8-9H2,1H3.
What are the key properties of 2-[4-(methoxymethyl)-1-bicyclo[2.2.1]heptanyl]acetaldehyde?
2-[4-(methoxymethyl)-1-bicyclo[2.2.1]heptanyl]acetaldehyde has a molecular weight of 182.26 g/mol, XLogP of 2.17, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(methoxymethyl)-1-bicyclo[2.2.1]heptanyl]acetaldehyde is sourced from PubChem (CID 169273742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).