1-chloropentyl cyclopentanecarboxylate

C11H19ClO2 — CID 174299638

IUPAC1-chloropentyl cyclopentanecarboxylate
SMILESCCCCC(Cl)OC(=O)C1CCCC1
InChIInChI=1S/C11H19ClO2/c1-2-3-8-10(12)14-11(13)9-6-4-5-7-9/h9-10H,2-8H2,1H3
InChIKeyQSIYKAOAHPRCDE-UHFFFAOYSA-N
MW218.72 g/mol
LogP3.47
Rot. Bonds5

About 1-chloropentyl cyclopentanecarboxylate

1-chloropentyl cyclopentanecarboxylate (PubChem CID 174299638) has the molecular formula C11H19ClO2 and a molecular weight of 218.72 g/mol. Its IUPAC name is 1-chloropentyl cyclopentanecarboxylate.

Molecular Properties

Compound Name1-chloropentyl cyclopentanecarboxylate
PubChem CID174299638
Molecular FormulaC11H19ClO2
Molecular Weight218.72 g/mol
Exact Mass218.11
IUPAC Name1-chloropentyl cyclopentanecarboxylate
SMILESCCCCC(Cl)OC(=O)C1CCCC1
InChIInChI=1S/C11H19ClO2/c1-2-3-8-10(12)14-11(13)9-6-4-5-7-9/h9-10H,2-8H2,1H3
InChIKeyQSIYKAOAHPRCDE-UHFFFAOYSA-N
XLogP3.47
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.72
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-chlorohexadecyl cyclohexanecarboxylate
CID 172567002
1-chlorobutyl cyclohexanecarboxylate
CID 67231020
1-carbonochloridoyloxybutyl cyclopentanecarboxylate
CID 87135742
tetradecan-3-yl cyclobutanecarboxylate
CID 544011
bis(1-chloropentyl) cyclobutane-1,1-dicarboxylate
CID 174336108
1-carbonochloridoylperoxybutyl cyclopentanecarboxylate
CID 86598003
bis(1-chloropentyl) dodecanedioate
CID 174646222
1-chloropentyl 2-aminoacetate
CID 155272437
2-octyldodecyl cyclopentanecarboxylate
CID 141463974
1-chloropentyl 2-methylprop-2-enoate
CID 174740582
nonyl cyclopentanecarboxylate
CID 575427
4-dodecan-5-yloxycarbonylcyclohexane-1-carboxylic acid
CID 141262981

Frequently Asked Questions

What is the IUPAC name of 1-chloropentyl cyclopentanecarboxylate?
The IUPAC name of 1-chloropentyl cyclopentanecarboxylate (CID 174299638) is 1-chloropentyl cyclopentanecarboxylate.
What is the SMILES notation for 1-chloropentyl cyclopentanecarboxylate?
The canonical SMILES for 1-chloropentyl cyclopentanecarboxylate is CCCCC(Cl)OC(=O)C1CCCC1.
What is the InChIKey of 1-chloropentyl cyclopentanecarboxylate?
The InChIKey is QSIYKAOAHPRCDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19ClO2/c1-2-3-8-10(12)14-11(13)9-6-4-5-7-9/h9-10H,2-8H2,1H3.
What are the key properties of 1-chloropentyl cyclopentanecarboxylate?
1-chloropentyl cyclopentanecarboxylate has a molecular weight of 218.72 g/mol, XLogP of 3.47, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloropentyl cyclopentanecarboxylate is sourced from PubChem (CID 174299638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).