4,8-dimethyl-4-pentoxynon-7-enal

C16H30O2 — CID 88730323

IUPAC4,8-dimethyl-4-pentoxynon-7-enal
SMILESCCCCCOC(C)(CCC=O)CCC=C(C)C
InChIInChI=1S/C16H30O2/c1-5-6-7-14-18-16(4,12-9-13-17)11-8-10-15(2)3/h10,13H,5-9,11-12,14H2,1-4H3
InChIKeyUFGGAAFQNYSEDF-UHFFFAOYSA-N
MW254.41 g/mol
LogP4.68
Rot. Bonds11

About 4,8-dimethyl-4-pentoxynon-7-enal

4,8-dimethyl-4-pentoxynon-7-enal (PubChem CID 88730323) has the molecular formula C16H30O2 and a molecular weight of 254.41 g/mol. Its IUPAC name is 4,8-dimethyl-4-pentoxynon-7-enal.

Molecular Properties

Compound Name4,8-dimethyl-4-pentoxynon-7-enal
PubChem CID88730323
Molecular FormulaC16H30O2
Molecular Weight254.41 g/mol
Exact Mass254.22
IUPAC Name4,8-dimethyl-4-pentoxynon-7-enal
SMILESCCCCCOC(C)(CCC=O)CCC=C(C)C
InChIInChI=1S/C16H30O2/c1-5-6-7-14-18-16(4,12-9-13-17)11-8-10-15(2)3/h10,13H,5-9,11-12,14H2,1-4H3
InChIKeyUFGGAAFQNYSEDF-UHFFFAOYSA-N
XLogP4.68
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.41
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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'}

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Related Compounds

(4,8-Dimethyl-1-oxonon-7-en-4-yl) acetate
CID 88729487
3-[(2R,3R)-3-[(3E)-4,8-dimethylnona-3,7-dienyl]-3-methyloxiran-2-yl]propanal
CID 11076334
3-Ethoxy-3,7-dimethyl-6-octenal
CID 560111
4-Hydroxy-4,8-dimethylnon-7-enal
CID 15276827
(7E)-4-hydroxy-4,8,12-trimethyltrideca-7,11-dienal
CID 23465307
4-Hydroxy-4,8,12-trimethyltrideca-7,11-dienal
CID 54088411
3-[(3E)-4,8-dimethylnona-3,7-dienyl]hexanedial
CID 59294735
3-(4,8-Dimethylnona-3,7-dienyl)hexanedial
CID 72248813
4-(3,7-Dimethyloct-6-en-3-yloxy)butanal
CID 87079383
2-(2-Ethoxycyclohex-2-en-1-yl)acetaldehyde
CID 88543663
4-(4,5-Dimethylcyclohex-3-en-1-yl)oxy-7-methyloctanal
CID 163879762
9-(3,7-Dimethyloct-6-enoxy)nonanal
CID 175018998

Frequently Asked Questions

What is the IUPAC name of 4,8-dimethyl-4-pentoxynon-7-enal?
The IUPAC name of 4,8-dimethyl-4-pentoxynon-7-enal (CID 88730323) is 4,8-dimethyl-4-pentoxynon-7-enal.
What is the SMILES notation for 4,8-dimethyl-4-pentoxynon-7-enal?
The canonical SMILES for 4,8-dimethyl-4-pentoxynon-7-enal is CCCCCOC(C)(CCC=O)CCC=C(C)C.
What is the InChIKey of 4,8-dimethyl-4-pentoxynon-7-enal?
The InChIKey is UFGGAAFQNYSEDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30O2/c1-5-6-7-14-18-16(4,12-9-13-17)11-8-10-15(2)3/h10,13H,5-9,11-12,14H2,1-4H3.
What are the key properties of 4,8-dimethyl-4-pentoxynon-7-enal?
4,8-dimethyl-4-pentoxynon-7-enal has a molecular weight of 254.41 g/mol, XLogP of 4.68, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,8-dimethyl-4-pentoxynon-7-enal is sourced from PubChem (CID 88730323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).