1-chloropentyl formate

C6H11ClO2 — CID 87282867

IUPAC1-chloropentyl formate
SMILESCCCCC(Cl)OC=O
InChIInChI=1S/C6H11ClO2/c1-2-3-4-6(7)9-5-8/h5-6H,2-4H2,1H3
InChIKeyVJHFRFMQFWYTNT-UHFFFAOYSA-N
MW150.61 g/mol
LogP1.91
Rot. Bonds5

About 1-chloropentyl formate

1-chloropentyl formate (PubChem CID 87282867) has the molecular formula C6H11ClO2 and a molecular weight of 150.61 g/mol. Its IUPAC name is 1-chloropentyl formate.

Molecular Properties

Compound Name1-chloropentyl formate
PubChem CID87282867
Molecular FormulaC6H11ClO2
Molecular Weight150.61 g/mol
Exact Mass150.04
IUPAC Name1-chloropentyl formate
SMILESCCCCC(Cl)OC=O
InChIInChI=1S/C6H11ClO2/c1-2-3-4-6(7)9-5-8/h5-6H,2-4H2,1H3
InChIKeyVJHFRFMQFWYTNT-UHFFFAOYSA-N
XLogP1.91
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.61
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-Pentanol, 5-chloro-, 1-acetate
CID 88521
1-Pentanol, 4-chloro, acetate
CID 527883
1-Pentanol, 1-chloro, acetate
CID 527880
5-Chloropentyl formate
CID 17911632
4,5,5,5-Tetra-chloropentyl formate
CID 129807968
2-Chlorohexyl formate
CID 10329640
4-Chlorobutyl formate
CID 12612639
1-Chlorobutyl formate
CID 12927841
1-Chloropentyl carbonochloridate
CID 13739652
6-Chlorohexyl formate
CID 17911653
5,5-Dichloropentyl formate
CID 18506663
4,5-Dichloropentyl formate
CID 20059318

Frequently Asked Questions

What is the IUPAC name of 1-chloropentyl formate?
The IUPAC name of 1-chloropentyl formate (CID 87282867) is 1-chloropentyl formate.
What is the SMILES notation for 1-chloropentyl formate?
The canonical SMILES for 1-chloropentyl formate is CCCCC(Cl)OC=O.
What is the InChIKey of 1-chloropentyl formate?
The InChIKey is VJHFRFMQFWYTNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11ClO2/c1-2-3-4-6(7)9-5-8/h5-6H,2-4H2,1H3.
What are the key properties of 1-chloropentyl formate?
1-chloropentyl formate has a molecular weight of 150.61 g/mol, XLogP of 1.91, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloropentyl formate is sourced from PubChem (CID 87282867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).