3-(3,5-dimethylcyclohexyl)oxypropanal

C11H20O2 — CID 64729407

IUPAC3-(3,5-dimethylcyclohexyl)oxypropanal
SMILESCC1CC(C)CC(OCCC=O)C1
InChIInChI=1S/C11H20O2/c1-9-6-10(2)8-11(7-9)13-5-3-4-12/h4,9-11H,3,5-8H2,1-2H3
InChIKeyRVCFYVGPHQBXEP-UHFFFAOYSA-N
MW184.28 g/mol
LogP2.42
Rot. Bonds4

About 3-(3,5-dimethylcyclohexyl)oxypropanal

3-(3,5-dimethylcyclohexyl)oxypropanal (PubChem CID 64729407) has the molecular formula C11H20O2 and a molecular weight of 184.28 g/mol. Its IUPAC name is 3-(3,5-dimethylcyclohexyl)oxypropanal.

Molecular Properties

Compound Name3-(3,5-dimethylcyclohexyl)oxypropanal
PubChem CID64729407
Molecular FormulaC11H20O2
Molecular Weight184.28 g/mol
Exact Mass184.15
IUPAC Name3-(3,5-dimethylcyclohexyl)oxypropanal
SMILESCC1CC(C)CC(OCCC=O)C1
InChIInChI=1S/C11H20O2/c1-9-6-10(2)8-11(7-9)13-5-3-4-12/h4,9-11H,3,5-8H2,1-2H3
InChIKeyRVCFYVGPHQBXEP-UHFFFAOYSA-N
XLogP2.42
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(1-methylpiperidin-4-yl)oxypropanal
CID 87150334
N-[2-(3,5-dimethylcyclohexyl)oxyethyl]-3,3-dimethylbutan-1-amine
CID 64731413
N-[2-(3,5-dimethylcyclohexyl)oxyethyl]-2,2,2-trifluoroethanamine
CID 64731235
N-[2-(3,5-dimethylcyclohexyl)oxyethyl]propan-2-amine
CID 64730061
methyl 3-(3-methylcyclobutyl)oxypropanoate
CID 170036663
1-(3,5-dimethylcyclohexyl)oxy-3-methoxypropan-2-amine
CID 107506880
5-(3-methylcyclobutyl)oxypentan-1-ol
CID 134489229
2-[2-(3,5-dimethylcyclohexyl)oxyethoxy]ethanesulfonamide
CID 64729428
4-(3,5-dimethylcyclohexyl)oxy-N-(2-methylpropyl)butan-1-amine
CID 64729623
ethane;1-ethoxy-3-methylcyclobutane
CID 169190771
6-(3,5-dimethylcyclohexyl)oxy-2-methyl-2-(methylamino)hexanoic acid
CID 64728640
5-(3,5-dimethylcyclohexyl)oxy-N-propan-2-ylpentan-1-amine
CID 64731034

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethylcyclohexyl)oxypropanal?
The IUPAC name of 3-(3,5-dimethylcyclohexyl)oxypropanal (CID 64729407) is 3-(3,5-dimethylcyclohexyl)oxypropanal.
What is the SMILES notation for 3-(3,5-dimethylcyclohexyl)oxypropanal?
The canonical SMILES for 3-(3,5-dimethylcyclohexyl)oxypropanal is CC1CC(C)CC(OCCC=O)C1.
What is the InChIKey of 3-(3,5-dimethylcyclohexyl)oxypropanal?
The InChIKey is RVCFYVGPHQBXEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O2/c1-9-6-10(2)8-11(7-9)13-5-3-4-12/h4,9-11H,3,5-8H2,1-2H3.
What are the key properties of 3-(3,5-dimethylcyclohexyl)oxypropanal?
3-(3,5-dimethylcyclohexyl)oxypropanal has a molecular weight of 184.28 g/mol, XLogP of 2.42, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethylcyclohexyl)oxypropanal is sourced from PubChem (CID 64729407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).