(Z)-7-(2-ethyl-4-methylcyclopentyl)hept-5-enal;2-pentylcyclohexa-1,3-diene;prop-1-ene

C29H50O — CID 145281350

IUPAC(Z)-7-(2-ethyl-4-methylcyclopentyl)hept-5-enal;2-pentylcyclohexa-1,3-diene;prop-1-ene
SMILESC=CC.CCC1CC(C)CC1C/C=C\CCCC=O.CCCCCC1=CCCC=C1
InChIInChI=1S/C15H26O.C11H18.C3H6/c1-3-14-11-13(2)12-15(14)9-7-5-4-6-8-10-16;1-2-3-5-8-11-9-6-4-7-10-11;1-3-2/h5,7,10,13-15H,3-4,6,8-9,11-12H2,1-2H3;6,9-10H,2-5,7-8H2,1H3;3H,1H2,2H3/b7-5-;;
InChIKeyASIUIYRJQMSTTM-MWKZNRQPSA-N
MW414.72 g/mol
LogP9.41
Rot. Bonds11

About (Z)-7-(2-ethyl-4-methylcyclopentyl)hept-5-enal;2-pentylcyclohexa-1,3-diene;prop-1-ene

(Z)-7-(2-ethyl-4-methylcyclopentyl)hept-5-enal;2-pentylcyclohexa-1,3-diene;prop-1-ene (PubChem CID 145281350) has the molecular formula C29H50O and a molecular weight of 414.72 g/mol. Its IUPAC name is (Z)-7-(2-ethyl-4-methylcyclopentyl)hept-5-enal;2-pentylcyclohexa-1,3-diene;prop-1-ene.

Molecular Properties

Compound Name(Z)-7-(2-ethyl-4-methylcyclopentyl)hept-5-enal;2-pentylcyclohexa-1,3-diene;prop-1-ene
PubChem CID145281350
Molecular FormulaC29H50O
Molecular Weight414.72 g/mol
Exact Mass414.39
IUPAC Name(Z)-7-(2-ethyl-4-methylcyclopentyl)hept-5-enal;2-pentylcyclohexa-1,3-diene;prop-1-ene
SMILESC=CC.CCC1CC(C)CC1C/C=C\CCCC=O.CCCCCC1=CCCC=C1
InChIInChI=1S/C15H26O.C11H18.C3H6/c1-3-14-11-13(2)12-15(14)9-7-5-4-6-8-10-16;1-2-3-5-8-11-9-6-4-7-10-11;1-3-2/h5,7,10,13-15H,3-4,6,8-9,11-12H2,1-2H3;6,9-10H,2-5,7-8H2,1H3;3H,1H2,2H3/b7-5-;;
InChIKeyASIUIYRJQMSTTM-MWKZNRQPSA-N
XLogP9.41
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.72
LogP ≤ 59.41
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'}

Analyze (Z)-7-(2-ethyl-4-methylcyclopentyl)hept-5-enal;2-pentylcyclohexa-1,3-diene;prop-1-ene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-Propylbicyclo(2.2.1)hept-5-ene-2-carbaldehyde
CID 161993
(1S,2S,3S,4R)-3-propan-2-ylbicyclo[2.2.1]hept-5-ene-2-carbaldehyde
CID 12137774
(1S,2R,3R,4R)-3-propan-2-ylbicyclo[2.2.1]hept-5-ene-2-carbaldehyde
CID 11019205
(2R,3R)-3-propylbicyclo[2.2.1]hept-5-ene-2-carbaldehyde
CID 12177749
(1R,4S,5R)-1-Isopropyl-4-methylspiro[4.5]dec-6-ene-8-carbaldehyde
CID 60147459
(1R,5R)-1-Isopropyl-4-methylspiro[4.5]dec-6-ene-8-carbaldehyde
CID 60147481
3-Propan-2-ylbicyclo[2.2.1]hept-5-ene-2-carbaldehyde
CID 71436561
3-(3,7-Dimethylnona-1,3,5,7-tetraenyl)-2,2,4-trimethylcyclohex-3-ene-1-carbaldehyde
CID 90916610
(1S,2S,3S,4R)-3-propylbicyclo[2.2.1]hept-5-ene-2-carbaldehyde
CID 101051238
cis-(1S,2S)-2-[(1E)-3-methylbuta-1,3-dienyl]cyclopentane-1-carbaldehyde
CID 101452743
trans-(1R,3R)-1,2,2-trimethyl-3-[(1E)-3-methylbuta-1,3-dienyl]cyclopentane-1-carbaldehyde
CID 101452750
trans-(1R,3R)-3-[(1E)-buta-1,3-dienyl]-1,2,2-trimethylcyclopentane-1-carbaldehyde
CID 101738277

Frequently Asked Questions

What is the IUPAC name of (Z)-7-(2-ethyl-4-methylcyclopentyl)hept-5-enal;2-pentylcyclohexa-1,3-diene;prop-1-ene?
The IUPAC name of (Z)-7-(2-ethyl-4-methylcyclopentyl)hept-5-enal;2-pentylcyclohexa-1,3-diene;prop-1-ene (CID 145281350) is (Z)-7-(2-ethyl-4-methylcyclopentyl)hept-5-enal;2-pentylcyclohexa-1,3-diene;prop-1-ene.
What is the SMILES notation for (Z)-7-(2-ethyl-4-methylcyclopentyl)hept-5-enal;2-pentylcyclohexa-1,3-diene;prop-1-ene?
The canonical SMILES for (Z)-7-(2-ethyl-4-methylcyclopentyl)hept-5-enal;2-pentylcyclohexa-1,3-diene;prop-1-ene is C=CC.CCC1CC(C)CC1C/C=C\CCCC=O.CCCCCC1=CCCC=C1.
What is the InChIKey of (Z)-7-(2-ethyl-4-methylcyclopentyl)hept-5-enal;2-pentylcyclohexa-1,3-diene;prop-1-ene?
The InChIKey is ASIUIYRJQMSTTM-MWKZNRQPSA-N. The full InChI is InChI=1S/C15H26O.C11H18.C3H6/c1-3-14-11-13(2)12-15(14)9-7-5-4-6-8-10-16;1-2-3-5-8-11-9-6-4-7-10-11;1-3-2/h5,7,10,13-15H,3-4,6,8-9,11-12H2,1-2H3;6,9-10H,2-5,7-8H2,1H3;3H,1H2,2H3/b7-5-;;.
What are the key properties of (Z)-7-(2-ethyl-4-methylcyclopentyl)hept-5-enal;2-pentylcyclohexa-1,3-diene;prop-1-ene?
(Z)-7-(2-ethyl-4-methylcyclopentyl)hept-5-enal;2-pentylcyclohexa-1,3-diene;prop-1-ene has a molecular weight of 414.72 g/mol, XLogP of 9.41, 11 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-7-(2-ethyl-4-methylcyclopentyl)hept-5-enal;2-pentylcyclohexa-1,3-diene;prop-1-ene is sourced from PubChem (CID 145281350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).