1-[1-(methoxymethyl)cyclopenta-2,4-dien-1-yl]nonan-1-one

C16H26O2 — CID 67372813

IUPAC1-[1-(methoxymethyl)cyclopenta-2,4-dien-1-yl]nonan-1-one
SMILESCCCCCCCCC(=O)C1(COC)C=CC=C1
InChIInChI=1S/C16H26O2/c1-3-4-5-6-7-8-11-15(17)16(14-18-2)12-9-10-13-16/h9-10,12-13H,3-8,11,14H2,1-2H3
InChIKeyRBYHWDXFHXNUMI-UHFFFAOYSA-N
MW250.38 g/mol
LogP4.06
Rot. Bonds10

About 1-[1-(methoxymethyl)cyclopenta-2,4-dien-1-yl]nonan-1-one

1-[1-(methoxymethyl)cyclopenta-2,4-dien-1-yl]nonan-1-one (PubChem CID 67372813) has the molecular formula C16H26O2 and a molecular weight of 250.38 g/mol. Its IUPAC name is 1-[1-(methoxymethyl)cyclopenta-2,4-dien-1-yl]nonan-1-one.

Molecular Properties

Compound Name1-[1-(methoxymethyl)cyclopenta-2,4-dien-1-yl]nonan-1-one
PubChem CID67372813
Molecular FormulaC16H26O2
Molecular Weight250.38 g/mol
Exact Mass250.19
IUPAC Name1-[1-(methoxymethyl)cyclopenta-2,4-dien-1-yl]nonan-1-one
SMILESCCCCCCCCC(=O)C1(COC)C=CC=C1
InChIInChI=1S/C16H26O2/c1-3-4-5-6-7-8-11-15(17)16(14-18-2)12-9-10-13-16/h9-10,12-13H,3-8,11,14H2,1-2H3
InChIKeyRBYHWDXFHXNUMI-UHFFFAOYSA-N
XLogP4.06
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.38
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-methoxyethyl octanoate
CID 14009347
1-[1-(methoxymethyl)cyclohexa-2,5-dien-1-yl]-8-methylnonan-1-one;1-(1-methoxy-2-methylcyclohexa-2,5-dien-1-yl)-7-methyloctan-1-one
CID 174733673
1-methoxypropan-2-ol;octyl hexadecanoate
CID 88643286
1-methoxydecan-2-one
CID 10352423
1-methoxy-3-methyltridecan-4-one
CID 115807260
N-(methoxymethyl)hexadecanamide
CID 59805196
methyl heptadecanoate
CID 15609
methoxymethane;octanoic acid
CID 87217062
methyl heptanoate
CID 7826
methyl octadecanoate;methyl octanoate
CID 157178883
25-methylnonatetracontane-24,26-dione
CID 173069947
2-methylhexadecan-3-one
CID 58030381

Frequently Asked Questions

What is the IUPAC name of 1-[1-(methoxymethyl)cyclopenta-2,4-dien-1-yl]nonan-1-one?
The IUPAC name of 1-[1-(methoxymethyl)cyclopenta-2,4-dien-1-yl]nonan-1-one (CID 67372813) is 1-[1-(methoxymethyl)cyclopenta-2,4-dien-1-yl]nonan-1-one.
What is the SMILES notation for 1-[1-(methoxymethyl)cyclopenta-2,4-dien-1-yl]nonan-1-one?
The canonical SMILES for 1-[1-(methoxymethyl)cyclopenta-2,4-dien-1-yl]nonan-1-one is CCCCCCCCC(=O)C1(COC)C=CC=C1.
What is the InChIKey of 1-[1-(methoxymethyl)cyclopenta-2,4-dien-1-yl]nonan-1-one?
The InChIKey is RBYHWDXFHXNUMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26O2/c1-3-4-5-6-7-8-11-15(17)16(14-18-2)12-9-10-13-16/h9-10,12-13H,3-8,11,14H2,1-2H3.
What are the key properties of 1-[1-(methoxymethyl)cyclopenta-2,4-dien-1-yl]nonan-1-one?
1-[1-(methoxymethyl)cyclopenta-2,4-dien-1-yl]nonan-1-one has a molecular weight of 250.38 g/mol, XLogP of 4.06, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(methoxymethyl)cyclopenta-2,4-dien-1-yl]nonan-1-one is sourced from PubChem (CID 67372813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).