1-ethoxy-4,4-dimethylcyclohexane-1-carbaldehyde

C11H20O2 — CID 130591101

IUPAC1-ethoxy-4,4-dimethylcyclohexane-1-carbaldehyde
SMILESCCOC1(C=O)CCC(C)(C)CC1
InChIInChI=1S/C11H20O2/c1-4-13-11(9-12)7-5-10(2,3)6-8-11/h9H,4-8H2,1-3H3
InChIKeyMNYPGWQJLAMFIS-UHFFFAOYSA-N
MW184.28 g/mol
LogP2.56
Rot. Bonds3

About 1-ethoxy-4,4-dimethylcyclohexane-1-carbaldehyde

1-ethoxy-4,4-dimethylcyclohexane-1-carbaldehyde (PubChem CID 130591101) has the molecular formula C11H20O2 and a molecular weight of 184.28 g/mol. Its IUPAC name is 1-ethoxy-4,4-dimethylcyclohexane-1-carbaldehyde.

Molecular Properties

Compound Name1-ethoxy-4,4-dimethylcyclohexane-1-carbaldehyde
PubChem CID130591101
Molecular FormulaC11H20O2
Molecular Weight184.28 g/mol
Exact Mass184.15
IUPAC Name1-ethoxy-4,4-dimethylcyclohexane-1-carbaldehyde
SMILESCCOC1(C=O)CCC(C)(C)CC1
InChIInChI=1S/C11H20O2/c1-4-13-11(9-12)7-5-10(2,3)6-8-11/h9H,4-8H2,1-3H3
InChIKeyMNYPGWQJLAMFIS-UHFFFAOYSA-N
XLogP2.56
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 52.56
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 1-ethoxy-4,4-dimethylcyclohexane-1-carbaldehyde?
The IUPAC name of 1-ethoxy-4,4-dimethylcyclohexane-1-carbaldehyde (CID 130591101) is 1-ethoxy-4,4-dimethylcyclohexane-1-carbaldehyde.
What is the SMILES notation for 1-ethoxy-4,4-dimethylcyclohexane-1-carbaldehyde?
The canonical SMILES for 1-ethoxy-4,4-dimethylcyclohexane-1-carbaldehyde is CCOC1(C=O)CCC(C)(C)CC1.
What is the InChIKey of 1-ethoxy-4,4-dimethylcyclohexane-1-carbaldehyde?
The InChIKey is MNYPGWQJLAMFIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O2/c1-4-13-11(9-12)7-5-10(2,3)6-8-11/h9H,4-8H2,1-3H3.
What are the key properties of 1-ethoxy-4,4-dimethylcyclohexane-1-carbaldehyde?
1-ethoxy-4,4-dimethylcyclohexane-1-carbaldehyde has a molecular weight of 184.28 g/mol, XLogP of 2.56, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-4,4-dimethylcyclohexane-1-carbaldehyde is sourced from PubChem (CID 130591101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).