2-(1-methoxycyclopenta-2,4-dien-1-yl)-8-methylnonanal

C16H26O2 — CID 174853775

IUPAC2-(1-methoxycyclopenta-2,4-dien-1-yl)-8-methylnonanal
SMILESCOC1(C(C=O)CCCCCC(C)C)C=CC=C1
InChIInChI=1S/C16H26O2/c1-14(2)9-5-4-6-10-15(13-17)16(18-3)11-7-8-12-16/h7-8,11-15H,4-6,9-10H2,1-3H3
InChIKeyBHCZJXOQXABQEM-UHFFFAOYSA-N
MW250.38 g/mol
LogP3.92
Rot. Bonds9

About 2-(1-methoxycyclopenta-2,4-dien-1-yl)-8-methylnonanal

2-(1-methoxycyclopenta-2,4-dien-1-yl)-8-methylnonanal (PubChem CID 174853775) has the molecular formula C16H26O2 and a molecular weight of 250.38 g/mol. Its IUPAC name is 2-(1-methoxycyclopenta-2,4-dien-1-yl)-8-methylnonanal.

Molecular Properties

Compound Name2-(1-methoxycyclopenta-2,4-dien-1-yl)-8-methylnonanal
PubChem CID174853775
Molecular FormulaC16H26O2
Molecular Weight250.38 g/mol
Exact Mass250.19
IUPAC Name2-(1-methoxycyclopenta-2,4-dien-1-yl)-8-methylnonanal
SMILESCOC1(C(C=O)CCCCCC(C)C)C=CC=C1
InChIInChI=1S/C16H26O2/c1-14(2)9-5-4-6-10-15(13-17)16(18-3)11-7-8-12-16/h7-8,11-15H,4-6,9-10H2,1-3H3
InChIKeyBHCZJXOQXABQEM-UHFFFAOYSA-N
XLogP3.92
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.38
LogP ≤ 53.92
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'}

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Related Compounds

2,9-dimethyldecanal
CID 21437669
2,9-dimethyldecane;2,11-dimethyldodecane;2,8-dimethylnonane;2,7-dimethyloctane;2,10-dimethylundecane
CID 161261647
2,22-dimethyltricosane
CID 58100191
16-methyl-2-propan-2-ylheptadecanal
CID 19810327
12-methyltridecanal
CID 146297718
22-methyltricosanal
CID 86049143
18-methylnonadecanal
CID 22123977
2-methyl-8-(8-methylnonan-2-yloxy)nonane
CID 175712820
methane;12-methyltridecanal
CID 175307429
Protein hydrolyzates, leather, reaction products with isostearoyl chloride
CID 90849558
alumane;6-methylheptanal
CID 174999973
7-methyl-1-phosphorosooctane
CID 162721813

Frequently Asked Questions

What is the IUPAC name of 2-(1-methoxycyclopenta-2,4-dien-1-yl)-8-methylnonanal?
The IUPAC name of 2-(1-methoxycyclopenta-2,4-dien-1-yl)-8-methylnonanal (CID 174853775) is 2-(1-methoxycyclopenta-2,4-dien-1-yl)-8-methylnonanal.
What is the SMILES notation for 2-(1-methoxycyclopenta-2,4-dien-1-yl)-8-methylnonanal?
The canonical SMILES for 2-(1-methoxycyclopenta-2,4-dien-1-yl)-8-methylnonanal is COC1(C(C=O)CCCCCC(C)C)C=CC=C1.
What is the InChIKey of 2-(1-methoxycyclopenta-2,4-dien-1-yl)-8-methylnonanal?
The InChIKey is BHCZJXOQXABQEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26O2/c1-14(2)9-5-4-6-10-15(13-17)16(18-3)11-7-8-12-16/h7-8,11-15H,4-6,9-10H2,1-3H3.
What are the key properties of 2-(1-methoxycyclopenta-2,4-dien-1-yl)-8-methylnonanal?
2-(1-methoxycyclopenta-2,4-dien-1-yl)-8-methylnonanal has a molecular weight of 250.38 g/mol, XLogP of 3.92, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methoxycyclopenta-2,4-dien-1-yl)-8-methylnonanal is sourced from PubChem (CID 174853775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).