2-[3-(cyclooctylmethoxy)cyclodecyl]acetyl chloride

C21H37ClO2 — CID 155130954

IUPAC2-[3-(cyclooctylmethoxy)cyclodecyl]acetyl chloride
SMILESO=C(Cl)CC1CCCCCCCC(OCC2CCCCCCC2)C1
InChIInChI=1S/C21H37ClO2/c22-21(23)16-19-13-9-5-2-6-10-14-20(15-19)24-17-18-11-7-3-1-4-8-12-18/h18-20H,1-17H2
InChIKeyYLOFQSJJIRDBMO-UHFFFAOYSA-N
MW356.98 g/mol
LogP6.64
Rot. Bonds5

About 2-[3-(cyclooctylmethoxy)cyclodecyl]acetyl chloride

2-[3-(cyclooctylmethoxy)cyclodecyl]acetyl chloride (PubChem CID 155130954) has the molecular formula C21H37ClO2 and a molecular weight of 356.98 g/mol. Its IUPAC name is 2-[3-(cyclooctylmethoxy)cyclodecyl]acetyl chloride.

Molecular Properties

Compound Name2-[3-(cyclooctylmethoxy)cyclodecyl]acetyl chloride
PubChem CID155130954
Molecular FormulaC21H37ClO2
Molecular Weight356.98 g/mol
Exact Mass356.25
IUPAC Name2-[3-(cyclooctylmethoxy)cyclodecyl]acetyl chloride
SMILESO=C(Cl)CC1CCCCCCCC(OCC2CCCCCCC2)C1
InChIInChI=1S/C21H37ClO2/c22-21(23)16-19-13-9-5-2-6-10-14-20(15-19)24-17-18-11-7-3-1-4-8-12-18/h18-20H,1-17H2
InChIKeyYLOFQSJJIRDBMO-UHFFFAOYSA-N
XLogP6.64
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.98
LogP ≤ 56.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[3-(cyclooctylmethoxy)cyclodecyl]acetic acid
CID 134457154
2-cyclobutylacetyl chloride
CID 14326266
2-[3-(methoxymethoxy)cyclodecyl]acetic acid
CID 134457636
3-(cyclopropylmethoxy)cyclohexan-1-ol
CID 79618368
2-(4-chlorocyclohexyl)acetyl chloride
CID 19428388
(1R,5S)-3-(cyclohexylmethoxy)-8-azabicyclo[3.2.1]octane
CID 68675499
3-(cyclopentylmethoxy)-1-(methylamino)cyclohexane-1-carboxylic acid
CID 79637509
1-amino-3-(cyclopentylmethoxy)cyclopentane-1-carboxamide
CID 79653423
2-(cyclopentylmethoxy)cycloheptan-1-ol
CID 66324580
1-(cyclohexylmethoxy)-4-methylcyclohexane
CID 21137244
2-(cyclohexylmethoxy)cyclohexan-1-ol
CID 62383231
[(1S,3R)-3-(2-chloro-2-oxoethyl)cyclopentyl] acetate
CID 127260731

Frequently Asked Questions

What is the IUPAC name of 2-[3-(cyclooctylmethoxy)cyclodecyl]acetyl chloride?
The IUPAC name of 2-[3-(cyclooctylmethoxy)cyclodecyl]acetyl chloride (CID 155130954) is 2-[3-(cyclooctylmethoxy)cyclodecyl]acetyl chloride.
What is the SMILES notation for 2-[3-(cyclooctylmethoxy)cyclodecyl]acetyl chloride?
The canonical SMILES for 2-[3-(cyclooctylmethoxy)cyclodecyl]acetyl chloride is O=C(Cl)CC1CCCCCCCC(OCC2CCCCCCC2)C1.
What is the InChIKey of 2-[3-(cyclooctylmethoxy)cyclodecyl]acetyl chloride?
The InChIKey is YLOFQSJJIRDBMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H37ClO2/c22-21(23)16-19-13-9-5-2-6-10-14-20(15-19)24-17-18-11-7-3-1-4-8-12-18/h18-20H,1-17H2.
What are the key properties of 2-[3-(cyclooctylmethoxy)cyclodecyl]acetyl chloride?
2-[3-(cyclooctylmethoxy)cyclodecyl]acetyl chloride has a molecular weight of 356.98 g/mol, XLogP of 6.64, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(cyclooctylmethoxy)cyclodecyl]acetyl chloride is sourced from PubChem (CID 155130954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).