methane;(4R)-5-methoxy-2,2,4,6,6-pentamethyl-3-oxonon-8-enal

C16H30O3 — CID 160707559

IUPACmethane;(4R)-5-methoxy-2,2,4,6,6-pentamethyl-3-oxonon-8-enal
SMILESC.C=CCC(C)(C)C(OC)[C@@H](C)C(=O)C(C)(C)C=O
InChIInChI=1S/C15H26O3.CH4/c1-8-9-14(3,4)13(18-7)11(2)12(17)15(5,6)10-16;/h8,10-11,13H,1,9H2,2-7H3;1H4/t11-,13?;/m0./s1
InChIKeyRRKPOWXBAVDYSE-BSGBVQJMSA-N
MW270.41 g/mol
LogP3.67
Rot. Bonds8

About methane;(4R)-5-methoxy-2,2,4,6,6-pentamethyl-3-oxonon-8-enal

methane;(4R)-5-methoxy-2,2,4,6,6-pentamethyl-3-oxonon-8-enal (PubChem CID 160707559) has the molecular formula C16H30O3 and a molecular weight of 270.41 g/mol. Its IUPAC name is methane;(4R)-5-methoxy-2,2,4,6,6-pentamethyl-3-oxonon-8-enal.

Molecular Properties

Compound Namemethane;(4R)-5-methoxy-2,2,4,6,6-pentamethyl-3-oxonon-8-enal
PubChem CID160707559
Molecular FormulaC16H30O3
Molecular Weight270.41 g/mol
Exact Mass270.22
IUPAC Namemethane;(4R)-5-methoxy-2,2,4,6,6-pentamethyl-3-oxonon-8-enal
SMILESC.C=CCC(C)(C)C(OC)[C@@H](C)C(=O)C(C)(C)C=O
InChIInChI=1S/C15H26O3.CH4/c1-8-9-14(3,4)13(18-7)11(2)12(17)15(5,6)10-16;/h8,10-11,13H,1,9H2,2-7H3;1H4/t11-,13?;/m0./s1
InChIKeyRRKPOWXBAVDYSE-BSGBVQJMSA-N
XLogP3.67
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.41
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(6S,7R,8S,9S)-6-hydroxy-5,5,7,8,9-pentamethyldodec-11-ene-2,4-dione
CID 58795464
(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
2-Methyl-5-propan-2-yloxynon-8-enal
CID 139996371
5-[Tert-butyl(dimethyl)silyl]oxy-2,2,4,6-tetramethyl-3-oxooct-7-enal
CID 141095036
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
5-Methoxy-2,2,4,6,6-pentamethyl-3-oxonon-8-enal
CID 20767046
5-Cyclopentyl-5-methoxy-3-oxodec-9-enal
CID 143183252
(2S,4S,5R,8S)-5-hydroxy-2,4,8-trimethyl-3-oxodec-9-enal
CID 177495119

Frequently Asked Questions

What is the IUPAC name of methane;(4R)-5-methoxy-2,2,4,6,6-pentamethyl-3-oxonon-8-enal?
The IUPAC name of methane;(4R)-5-methoxy-2,2,4,6,6-pentamethyl-3-oxonon-8-enal (CID 160707559) is methane;(4R)-5-methoxy-2,2,4,6,6-pentamethyl-3-oxonon-8-enal.
What is the SMILES notation for methane;(4R)-5-methoxy-2,2,4,6,6-pentamethyl-3-oxonon-8-enal?
The canonical SMILES for methane;(4R)-5-methoxy-2,2,4,6,6-pentamethyl-3-oxonon-8-enal is C.C=CCC(C)(C)C(OC)[C@@H](C)C(=O)C(C)(C)C=O.
What is the InChIKey of methane;(4R)-5-methoxy-2,2,4,6,6-pentamethyl-3-oxonon-8-enal?
The InChIKey is RRKPOWXBAVDYSE-BSGBVQJMSA-N. The full InChI is InChI=1S/C15H26O3.CH4/c1-8-9-14(3,4)13(18-7)11(2)12(17)15(5,6)10-16;/h8,10-11,13H,1,9H2,2-7H3;1H4/t11-,13?;/m0./s1.
What are the key properties of methane;(4R)-5-methoxy-2,2,4,6,6-pentamethyl-3-oxonon-8-enal?
methane;(4R)-5-methoxy-2,2,4,6,6-pentamethyl-3-oxonon-8-enal has a molecular weight of 270.41 g/mol, XLogP of 3.67, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methane;(4R)-5-methoxy-2,2,4,6,6-pentamethyl-3-oxonon-8-enal is sourced from PubChem (CID 160707559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).