5-cyclopentyl-5-methoxy-3-oxodec-9-enal

C16H26O3 — CID 143183252

IUPAC5-cyclopentyl-5-methoxy-3-oxodec-9-enal
SMILESC=CCCCC(CC(=O)CC=O)(OC)C1CCCC1
InChIInChI=1S/C16H26O3/c1-3-4-7-11-16(19-2,13-15(18)10-12-17)14-8-5-6-9-14/h3,12,14H,1,4-11,13H2,2H3
InChIKeyMVCIZVNWPXXYRG-UHFFFAOYSA-N
MW266.38 g/mol
LogP3.47
Rot. Bonds10

About 5-cyclopentyl-5-methoxy-3-oxodec-9-enal

5-cyclopentyl-5-methoxy-3-oxodec-9-enal (PubChem CID 143183252) has the molecular formula C16H26O3 and a molecular weight of 266.38 g/mol. Its IUPAC name is 5-cyclopentyl-5-methoxy-3-oxodec-9-enal.

Molecular Properties

Compound Name5-cyclopentyl-5-methoxy-3-oxodec-9-enal
PubChem CID143183252
Molecular FormulaC16H26O3
Molecular Weight266.38 g/mol
Exact Mass266.19
IUPAC Name5-cyclopentyl-5-methoxy-3-oxodec-9-enal
SMILESC=CCCCC(CC(=O)CC=O)(OC)C1CCCC1
InChIInChI=1S/C16H26O3/c1-3-4-7-11-16(19-2,13-15(18)10-12-17)14-8-5-6-9-14/h3,12,14H,1,4-11,13H2,2H3
InChIKeyMVCIZVNWPXXYRG-UHFFFAOYSA-N
XLogP3.47
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.38
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(5R,6S)-5-methoxy-2,2,6-trimethyl-3-oxonon-8-enal
CID 59076121
(4R)-5-methoxy-2,2,4,6,6-pentamethyl-3-oxonon-8-enal
CID 59990587
(4R,5S,6S)-5-methoxy-2,2,4,6-tetramethyl-3-oxonon-8-enal
CID 60066593
5-Cyclopentyl-5-methoxy-3-oxodec-9-enal;ethane;ethene;prop-1-ene
CID 143183251
methane;(4R)-5-methoxy-2,2,4,6,6-pentamethyl-3-oxonon-8-enal
CID 157362945
methane;(4R)-5-methoxy-2,2,4,6,6-pentamethyl-3-oxonon-8-enal
CID 160707559
5-Methoxy-2,2,4,6,6-pentamethyl-3-oxonon-8-enal
CID 20767046

Frequently Asked Questions

What is the IUPAC name of 5-cyclopentyl-5-methoxy-3-oxodec-9-enal?
The IUPAC name of 5-cyclopentyl-5-methoxy-3-oxodec-9-enal (CID 143183252) is 5-cyclopentyl-5-methoxy-3-oxodec-9-enal.
What is the SMILES notation for 5-cyclopentyl-5-methoxy-3-oxodec-9-enal?
The canonical SMILES for 5-cyclopentyl-5-methoxy-3-oxodec-9-enal is C=CCCCC(CC(=O)CC=O)(OC)C1CCCC1.
What is the InChIKey of 5-cyclopentyl-5-methoxy-3-oxodec-9-enal?
The InChIKey is MVCIZVNWPXXYRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26O3/c1-3-4-7-11-16(19-2,13-15(18)10-12-17)14-8-5-6-9-14/h3,12,14H,1,4-11,13H2,2H3.
What are the key properties of 5-cyclopentyl-5-methoxy-3-oxodec-9-enal?
5-cyclopentyl-5-methoxy-3-oxodec-9-enal has a molecular weight of 266.38 g/mol, XLogP of 3.47, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopentyl-5-methoxy-3-oxodec-9-enal is sourced from PubChem (CID 143183252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).