5-cyclohexyl-5-methoxy-2,4-dimethylpent-2-enal

C14H24O2 — CID 76603817

IUPAC5-cyclohexyl-5-methoxy-2,4-dimethylpent-2-enal
SMILESCOC(C(C)C=C(C)C=O)C1CCCCC1
InChIInChI=1S/C14H24O2/c1-11(10-15)9-12(2)14(16-3)13-7-5-4-6-8-13/h9-10,12-14H,4-8H2,1-3H3
InChIKeyLQVCHVYATYHQEX-UHFFFAOYSA-N
MW224.34 g/mol
LogP3.36
Rot. Bonds5

About 5-cyclohexyl-5-methoxy-2,4-dimethylpent-2-enal

5-cyclohexyl-5-methoxy-2,4-dimethylpent-2-enal (PubChem CID 76603817) has the molecular formula C14H24O2 and a molecular weight of 224.34 g/mol. Its IUPAC name is 5-cyclohexyl-5-methoxy-2,4-dimethylpent-2-enal.

Molecular Properties

Compound Name5-cyclohexyl-5-methoxy-2,4-dimethylpent-2-enal
PubChem CID76603817
Molecular FormulaC14H24O2
Molecular Weight224.34 g/mol
Exact Mass224.18
IUPAC Name5-cyclohexyl-5-methoxy-2,4-dimethylpent-2-enal
SMILESCOC(C(C)C=C(C)C=O)C1CCCCC1
InChIInChI=1S/C14H24O2/c1-11(10-15)9-12(2)14(16-3)13-7-5-4-6-8-13/h9-10,12-14H,4-8H2,1-3H3
InChIKeyLQVCHVYATYHQEX-UHFFFAOYSA-N
XLogP3.36
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.34
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E,5R)-5-cyclohexyl-5-hydroxy-2-methylpent-2-enal
CID 101792905
(E)-5-cyclohexyl-5-hydroxy-2-methylpent-2-enal
CID 102259281
(E)-3-(2-hydroxycyclohexyl)but-2-enal
CID 10855889
(E)-5-cyclohexyl-5-methoxy-2,4-dimethylpent-2-enal
CID 57780811
(E)-5-methoxy-3,8-dimethylnon-2-enal
CID 87290958
(E)-5-methoxy-2,8-dimethylnon-2-enal
CID 87290962
(E)-5-methoxy-2,6-dimethyloct-2-enal
CID 87291131
(E)-5-methoxy-8-methyldec-2-enal
CID 87291134
(E)-5-methoxy-2,7-dimethylnon-2-enal
CID 87291185
(E)-5-methoxy-9-methyldec-2-enal
CID 87291202
(E)-5-methoxy-4,7-dimethylnon-2-enal
CID 87291279
(E)-5-methoxy-2,6-dimethylnon-2-enal
CID 87291283

Frequently Asked Questions

What is the IUPAC name of 5-cyclohexyl-5-methoxy-2,4-dimethylpent-2-enal?
The IUPAC name of 5-cyclohexyl-5-methoxy-2,4-dimethylpent-2-enal (CID 76603817) is 5-cyclohexyl-5-methoxy-2,4-dimethylpent-2-enal.
What is the SMILES notation for 5-cyclohexyl-5-methoxy-2,4-dimethylpent-2-enal?
The canonical SMILES for 5-cyclohexyl-5-methoxy-2,4-dimethylpent-2-enal is COC(C(C)C=C(C)C=O)C1CCCCC1.
What is the InChIKey of 5-cyclohexyl-5-methoxy-2,4-dimethylpent-2-enal?
The InChIKey is LQVCHVYATYHQEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O2/c1-11(10-15)9-12(2)14(16-3)13-7-5-4-6-8-13/h9-10,12-14H,4-8H2,1-3H3.
What are the key properties of 5-cyclohexyl-5-methoxy-2,4-dimethylpent-2-enal?
5-cyclohexyl-5-methoxy-2,4-dimethylpent-2-enal has a molecular weight of 224.34 g/mol, XLogP of 3.36, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclohexyl-5-methoxy-2,4-dimethylpent-2-enal is sourced from PubChem (CID 76603817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).