6-(2,4,4-trimethylcyclopentylidene)hexanal

C14H24O — CID 123403367

IUPAC6-(2,4,4-trimethylcyclopentylidene)hexanal
SMILESCC1CC(C)(C)CC1=CCCCCC=O
InChIInChI=1S/C14H24O/c1-12-10-14(2,3)11-13(12)8-6-4-5-7-9-15/h8-9,12H,4-7,10-11H2,1-3H3
InChIKeyCKQHSCYUYIHPKA-UHFFFAOYSA-N
MW208.34 g/mol
LogP4.13
Rot. Bonds5

About 6-(2,4,4-trimethylcyclopentylidene)hexanal

6-(2,4,4-trimethylcyclopentylidene)hexanal (PubChem CID 123403367) has the molecular formula C14H24O and a molecular weight of 208.34 g/mol. Its IUPAC name is 6-(2,4,4-trimethylcyclopentylidene)hexanal.

Molecular Properties

Compound Name6-(2,4,4-trimethylcyclopentylidene)hexanal
PubChem CID123403367
Molecular FormulaC14H24O
Molecular Weight208.34 g/mol
Exact Mass208.18
IUPAC Name6-(2,4,4-trimethylcyclopentylidene)hexanal
SMILESCC1CC(C)(C)CC1=CCCCCC=O
InChIInChI=1S/C14H24O/c1-12-10-14(2,3)11-13(12)8-6-4-5-7-9-15/h8-9,12H,4-7,10-11H2,1-3H3
InChIKeyCKQHSCYUYIHPKA-UHFFFAOYSA-N
XLogP4.13
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.34
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-(2,4,4-trimethylcyclopentylidene)hexanal?
The IUPAC name of 6-(2,4,4-trimethylcyclopentylidene)hexanal (CID 123403367) is 6-(2,4,4-trimethylcyclopentylidene)hexanal.
What is the SMILES notation for 6-(2,4,4-trimethylcyclopentylidene)hexanal?
The canonical SMILES for 6-(2,4,4-trimethylcyclopentylidene)hexanal is CC1CC(C)(C)CC1=CCCCCC=O.
What is the InChIKey of 6-(2,4,4-trimethylcyclopentylidene)hexanal?
The InChIKey is CKQHSCYUYIHPKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O/c1-12-10-14(2,3)11-13(12)8-6-4-5-7-9-15/h8-9,12H,4-7,10-11H2,1-3H3.
What are the key properties of 6-(2,4,4-trimethylcyclopentylidene)hexanal?
6-(2,4,4-trimethylcyclopentylidene)hexanal has a molecular weight of 208.34 g/mol, XLogP of 4.13, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,4,4-trimethylcyclopentylidene)hexanal is sourced from PubChem (CID 123403367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).