(Z)-4-methyl-6-(2,2,3-trimethylcyclopent-3-en-1-yl)hex-4-enal

C15H24O — CID 25004180

IUPAC(Z)-4-methyl-6-(2,2,3-trimethylcyclopent-3-en-1-yl)hex-4-enal
SMILESCC1=CCC(C/C=C(/C)CCC=O)C1(C)C
InChIInChI=1S/C15H24O/c1-12(6-5-11-16)7-9-14-10-8-13(2)15(14,3)4/h7-8,11,14H,5-6,9-10H2,1-4H3/b12-7-
InChIKeySKSCBPUOSNVLNV-GHXNOFRVSA-N
MW220.36 g/mol
LogP4.29
Rot. Bonds5

About (Z)-4-methyl-6-(2,2,3-trimethylcyclopent-3-en-1-yl)hex-4-enal

(Z)-4-methyl-6-(2,2,3-trimethylcyclopent-3-en-1-yl)hex-4-enal (PubChem CID 25004180) has the molecular formula C15H24O and a molecular weight of 220.36 g/mol. Its IUPAC name is (Z)-4-methyl-6-(2,2,3-trimethylcyclopent-3-en-1-yl)hex-4-enal.

Molecular Properties

Compound Name(Z)-4-methyl-6-(2,2,3-trimethylcyclopent-3-en-1-yl)hex-4-enal
PubChem CID25004180
Molecular FormulaC15H24O
Molecular Weight220.36 g/mol
Exact Mass220.18
IUPAC Name(Z)-4-methyl-6-(2,2,3-trimethylcyclopent-3-en-1-yl)hex-4-enal
SMILESCC1=CCC(C/C=C(/C)CCC=O)C1(C)C
InChIInChI=1S/C15H24O/c1-12(6-5-11-16)7-9-14-10-8-13(2)15(14,3)4/h7-8,11,14H,5-6,9-10H2,1-4H3/b12-7-
InChIKeySKSCBPUOSNVLNV-GHXNOFRVSA-N
XLogP4.29
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-4-methyl-6-(2,2,3-trimethylcyclopent-3-en-1-yl)hex-4-enal?
The IUPAC name of (Z)-4-methyl-6-(2,2,3-trimethylcyclopent-3-en-1-yl)hex-4-enal (CID 25004180) is (Z)-4-methyl-6-(2,2,3-trimethylcyclopent-3-en-1-yl)hex-4-enal.
What is the SMILES notation for (Z)-4-methyl-6-(2,2,3-trimethylcyclopent-3-en-1-yl)hex-4-enal?
The canonical SMILES for (Z)-4-methyl-6-(2,2,3-trimethylcyclopent-3-en-1-yl)hex-4-enal is CC1=CCC(C/C=C(/C)CCC=O)C1(C)C.
What is the InChIKey of (Z)-4-methyl-6-(2,2,3-trimethylcyclopent-3-en-1-yl)hex-4-enal?
The InChIKey is SKSCBPUOSNVLNV-GHXNOFRVSA-N. The full InChI is InChI=1S/C15H24O/c1-12(6-5-11-16)7-9-14-10-8-13(2)15(14,3)4/h7-8,11,14H,5-6,9-10H2,1-4H3/b12-7-.
What are the key properties of (Z)-4-methyl-6-(2,2,3-trimethylcyclopent-3-en-1-yl)hex-4-enal?
(Z)-4-methyl-6-(2,2,3-trimethylcyclopent-3-en-1-yl)hex-4-enal has a molecular weight of 220.36 g/mol, XLogP of 4.29, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-methyl-6-(2,2,3-trimethylcyclopent-3-en-1-yl)hex-4-enal is sourced from PubChem (CID 25004180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).