5-cyclopentyl-5-methoxy-3-oxodec-9-enal;ethane;ethene;prop-1-ene

C23H42O3 — CID 143183251

IUPAC5-cyclopentyl-5-methoxy-3-oxodec-9-enal;ethane;ethene;prop-1-ene
SMILESC=C.C=CC.C=CCCCC(CC(=O)CC=O)(OC)C1CCCC1.CC
InChIInChI=1S/C16H26O3.C3H6.C2H6.C2H4/c1-3-4-7-11-16(19-2,13-15(18)10-12-17)14-8-5-6-9-14;1-3-2;2*1-2/h3,12,14H,1,4-11,13H2,2H3;3H,1H2,2H3;1-2H3;1-2H2
InChIKeyOHYOQACNODUBSL-UHFFFAOYSA-N
MW366.59 g/mol
LogP6.49
Rot. Bonds10

About 5-cyclopentyl-5-methoxy-3-oxodec-9-enal;ethane;ethene;prop-1-ene

5-cyclopentyl-5-methoxy-3-oxodec-9-enal;ethane;ethene;prop-1-ene (PubChem CID 143183251) has the molecular formula C23H42O3 and a molecular weight of 366.59 g/mol. Its IUPAC name is 5-cyclopentyl-5-methoxy-3-oxodec-9-enal;ethane;ethene;prop-1-ene.

Molecular Properties

Compound Name5-cyclopentyl-5-methoxy-3-oxodec-9-enal;ethane;ethene;prop-1-ene
PubChem CID143183251
Molecular FormulaC23H42O3
Molecular Weight366.59 g/mol
Exact Mass366.31
IUPAC Name5-cyclopentyl-5-methoxy-3-oxodec-9-enal;ethane;ethene;prop-1-ene
SMILESC=C.C=CC.C=CCCCC(CC(=O)CC=O)(OC)C1CCCC1.CC
InChIInChI=1S/C16H26O3.C3H6.C2H6.C2H4/c1-3-4-7-11-16(19-2,13-15(18)10-12-17)14-8-5-6-9-14;1-3-2;2*1-2/h3,12,14H,1,4-11,13H2,2H3;3H,1H2,2H3;1-2H3;1-2H2
InChIKeyOHYOQACNODUBSL-UHFFFAOYSA-N
XLogP6.49
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.59
LogP ≤ 56.49
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

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-Cyclopentyl-5-methoxy-3-oxodec-9-enal
CID 143183252

Frequently Asked Questions

What is the IUPAC name of 5-cyclopentyl-5-methoxy-3-oxodec-9-enal;ethane;ethene;prop-1-ene?
The IUPAC name of 5-cyclopentyl-5-methoxy-3-oxodec-9-enal;ethane;ethene;prop-1-ene (CID 143183251) is 5-cyclopentyl-5-methoxy-3-oxodec-9-enal;ethane;ethene;prop-1-ene.
What is the SMILES notation for 5-cyclopentyl-5-methoxy-3-oxodec-9-enal;ethane;ethene;prop-1-ene?
The canonical SMILES for 5-cyclopentyl-5-methoxy-3-oxodec-9-enal;ethane;ethene;prop-1-ene is C=C.C=CC.C=CCCCC(CC(=O)CC=O)(OC)C1CCCC1.CC.
What is the InChIKey of 5-cyclopentyl-5-methoxy-3-oxodec-9-enal;ethane;ethene;prop-1-ene?
The InChIKey is OHYOQACNODUBSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26O3.C3H6.C2H6.C2H4/c1-3-4-7-11-16(19-2,13-15(18)10-12-17)14-8-5-6-9-14;1-3-2;2*1-2/h3,12,14H,1,4-11,13H2,2H3;3H,1H2,2H3;1-2H3;1-2H2.
What are the key properties of 5-cyclopentyl-5-methoxy-3-oxodec-9-enal;ethane;ethene;prop-1-ene?
5-cyclopentyl-5-methoxy-3-oxodec-9-enal;ethane;ethene;prop-1-ene has a molecular weight of 366.59 g/mol, XLogP of 6.49, 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;ethane;ethene;prop-1-ene is sourced from PubChem (CID 143183251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).