(Z)-6-(2,2,3-trimethylcyclopentyl)hex-4-enal

C14H24O — CID 25003840

IUPAC(Z)-6-(2,2,3-trimethylcyclopentyl)hex-4-enal
SMILESCC1CCC(C/C=C\CCC=O)C1(C)C
InChIInChI=1S/C14H24O/c1-12-9-10-13(14(12,2)3)8-6-4-5-7-11-15/h4,6,11-13H,5,7-10H2,1-3H3/b6-4-
InChIKeyDTHJNQYLRVNOCX-XQRVVYSFSA-N
MW208.34 g/mol
LogP3.98
Rot. Bonds5

About (Z)-6-(2,2,3-trimethylcyclopentyl)hex-4-enal

(Z)-6-(2,2,3-trimethylcyclopentyl)hex-4-enal (PubChem CID 25003840) has the molecular formula C14H24O and a molecular weight of 208.34 g/mol. Its IUPAC name is (Z)-6-(2,2,3-trimethylcyclopentyl)hex-4-enal.

Molecular Properties

Compound Name(Z)-6-(2,2,3-trimethylcyclopentyl)hex-4-enal
PubChem CID25003840
Molecular FormulaC14H24O
Molecular Weight208.34 g/mol
Exact Mass208.18
IUPAC Name(Z)-6-(2,2,3-trimethylcyclopentyl)hex-4-enal
SMILESCC1CCC(C/C=C\CCC=O)C1(C)C
InChIInChI=1S/C14H24O/c1-12-9-10-13(14(12,2)3)8-6-4-5-7-11-15/h4,6,11-13H,5,7-10H2,1-3H3/b6-4-
InChIKeyDTHJNQYLRVNOCX-XQRVVYSFSA-N
XLogP3.98
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 ≤ 53.98
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 (Z)-6-(2,2,3-trimethylcyclopentyl)hex-4-enal?
The IUPAC name of (Z)-6-(2,2,3-trimethylcyclopentyl)hex-4-enal (CID 25003840) is (Z)-6-(2,2,3-trimethylcyclopentyl)hex-4-enal.
What is the SMILES notation for (Z)-6-(2,2,3-trimethylcyclopentyl)hex-4-enal?
The canonical SMILES for (Z)-6-(2,2,3-trimethylcyclopentyl)hex-4-enal is CC1CCC(C/C=C\CCC=O)C1(C)C.
What is the InChIKey of (Z)-6-(2,2,3-trimethylcyclopentyl)hex-4-enal?
The InChIKey is DTHJNQYLRVNOCX-XQRVVYSFSA-N. The full InChI is InChI=1S/C14H24O/c1-12-9-10-13(14(12,2)3)8-6-4-5-7-11-15/h4,6,11-13H,5,7-10H2,1-3H3/b6-4-.
What are the key properties of (Z)-6-(2,2,3-trimethylcyclopentyl)hex-4-enal?
(Z)-6-(2,2,3-trimethylcyclopentyl)hex-4-enal has a molecular weight of 208.34 g/mol, XLogP of 3.98, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-6-(2,2,3-trimethylcyclopentyl)hex-4-enal is sourced from PubChem (CID 25003840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).