2-cyclohexyl-2-methoxypropanal

C10H18O2 — CID 105434565

IUPAC2-cyclohexyl-2-methoxypropanal
SMILESCOC(C)(C=O)C1CCCCC1
InChIInChI=1S/C10H18O2/c1-10(8-11,12-2)9-6-4-3-5-7-9/h8-9H,3-7H2,1-2H3
InChIKeyZFJHMTPPOBLMTC-UHFFFAOYSA-N
MW170.25 g/mol
LogP2.17
Rot. Bonds3

About 2-cyclohexyl-2-methoxypropanal

2-cyclohexyl-2-methoxypropanal (PubChem CID 105434565) has the molecular formula C10H18O2 and a molecular weight of 170.25 g/mol. Its IUPAC name is 2-cyclohexyl-2-methoxypropanal.

Molecular Properties

Compound Name2-cyclohexyl-2-methoxypropanal
PubChem CID105434565
Molecular FormulaC10H18O2
Molecular Weight170.25 g/mol
Exact Mass170.13
IUPAC Name2-cyclohexyl-2-methoxypropanal
SMILESCOC(C)(C=O)C1CCCCC1
InChIInChI=1S/C10H18O2/c1-10(8-11,12-2)9-6-4-3-5-7-9/h8-9H,3-7H2,1-2H3
InChIKeyZFJHMTPPOBLMTC-UHFFFAOYSA-N
XLogP2.17
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.25
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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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-2-methoxypropanal?
The IUPAC name of 2-cyclohexyl-2-methoxypropanal (CID 105434565) is 2-cyclohexyl-2-methoxypropanal.
What is the SMILES notation for 2-cyclohexyl-2-methoxypropanal?
The canonical SMILES for 2-cyclohexyl-2-methoxypropanal is COC(C)(C=O)C1CCCCC1.
What is the InChIKey of 2-cyclohexyl-2-methoxypropanal?
The InChIKey is ZFJHMTPPOBLMTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O2/c1-10(8-11,12-2)9-6-4-3-5-7-9/h8-9H,3-7H2,1-2H3.
What are the key properties of 2-cyclohexyl-2-methoxypropanal?
2-cyclohexyl-2-methoxypropanal has a molecular weight of 170.25 g/mol, XLogP of 2.17, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-2-methoxypropanal is sourced from PubChem (CID 105434565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).