2-(2-hydroxy-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)acetaldehyde

C12H20O2 — CID 74022055

IUPAC2-(2-hydroxy-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)acetaldehyde
SMILESCC1(C)C2CCC1(C)C(O)(CC=O)C2
InChIInChI=1S/C12H20O2/c1-10(2)9-4-5-11(10,3)12(14,8-9)6-7-13/h7,9,14H,4-6,8H2,1-3H3
InChIKeyARNNVKHHUZYGSK-UHFFFAOYSA-N
MW196.29 g/mol
LogP2.15
Rot. Bonds2

About 2-(2-hydroxy-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)acetaldehyde

2-(2-hydroxy-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)acetaldehyde (PubChem CID 74022055) has the molecular formula C12H20O2 and a molecular weight of 196.29 g/mol. Its IUPAC name is 2-(2-hydroxy-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)acetaldehyde.

Molecular Properties

Compound Name2-(2-hydroxy-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)acetaldehyde
PubChem CID74022055
Molecular FormulaC12H20O2
Molecular Weight196.29 g/mol
Exact Mass196.15
IUPAC Name2-(2-hydroxy-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)acetaldehyde
SMILESCC1(C)C2CCC1(C)C(O)(CC=O)C2
InChIInChI=1S/C12H20O2/c1-10(2)9-4-5-11(10,3)12(14,8-9)6-7-13/h7,9,14H,4-6,8H2,1-3H3
InChIKeyARNNVKHHUZYGSK-UHFFFAOYSA-N
XLogP2.15
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxy-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)acetaldehyde?
The IUPAC name of 2-(2-hydroxy-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)acetaldehyde (CID 74022055) is 2-(2-hydroxy-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)acetaldehyde.
What is the SMILES notation for 2-(2-hydroxy-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)acetaldehyde?
The canonical SMILES for 2-(2-hydroxy-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)acetaldehyde is CC1(C)C2CCC1(C)C(O)(CC=O)C2.
What is the InChIKey of 2-(2-hydroxy-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)acetaldehyde?
The InChIKey is ARNNVKHHUZYGSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O2/c1-10(2)9-4-5-11(10,3)12(14,8-9)6-7-13/h7,9,14H,4-6,8H2,1-3H3.
What are the key properties of 2-(2-hydroxy-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)acetaldehyde?
2-(2-hydroxy-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)acetaldehyde has a molecular weight of 196.29 g/mol, XLogP of 2.15, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxy-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)acetaldehyde is sourced from PubChem (CID 74022055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).