5-hydroxypentyl 3-chloropropanoate

C8H15ClO3 — CID 101448120

IUPAC5-hydroxypentyl 3-chloropropanoate
SMILESO=C(CCCl)OCCCCCO
InChIInChI=1S/C8H15ClO3/c9-5-4-8(11)12-7-3-1-2-6-10/h10H,1-7H2
InChIKeyPGCNNUMHPMCUDE-UHFFFAOYSA-N
MW194.66 g/mol
LogP1.32
Rot. Bonds7

About 5-hydroxypentyl 3-chloropropanoate

5-hydroxypentyl 3-chloropropanoate (PubChem CID 101448120) has the molecular formula C8H15ClO3 and a molecular weight of 194.66 g/mol. Its IUPAC name is 5-hydroxypentyl 3-chloropropanoate.

Molecular Properties

Compound Name5-hydroxypentyl 3-chloropropanoate
PubChem CID101448120
Molecular FormulaC8H15ClO3
Molecular Weight194.66 g/mol
Exact Mass194.07
IUPAC Name5-hydroxypentyl 3-chloropropanoate
SMILESO=C(CCCl)OCCCCCO
InChIInChI=1S/C8H15ClO3/c9-5-4-8(11)12-7-3-1-2-6-10/h10H,1-7H2
InChIKeyPGCNNUMHPMCUDE-UHFFFAOYSA-N
XLogP1.32
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.66
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

bis(10-hydroxydecyl) tetradecanedioate
CID 171852033
bis(7-hydroxyheptyl) icosanedioate
CID 91383667
bis(4-hydroxybutyl) octanedioate
CID 58519863
6-(6-hydroxyhexanoyloxy)hexyl 6-hydroxyhexanoate;methane
CID 158211085
hexyl 3-chloropropanoate
CID 522094
10-hydroxydecyl 3-sulfanylpropanoate
CID 88779381
3-chloropropyl 3-hydroxypropanoate
CID 54357408
bis(4-chlorobutyl) butanedioate
CID 87755662
15-(15-hydroxypentadecanoyloxy)pentadecanoic acid
CID 5204801
9-hydroxynonyl 8-bromooctanoate
CID 71420603
5-(6-hydroxyhexanoyloxy)pentanoic acid
CID 87986375
6-[6-[6-[6-[6-[6-[6-[6-[6-(6-hydroxyhexanoyloxy)hexanoyloxy]hexanoyloxy]hexanoyloxy]hexanoyloxy]hexanoyloxy]hexanoyloxy]hexanoyloxy]hexanoyloxy]hexanoic acid
CID 88979293

Frequently Asked Questions

What is the IUPAC name of 5-hydroxypentyl 3-chloropropanoate?
The IUPAC name of 5-hydroxypentyl 3-chloropropanoate (CID 101448120) is 5-hydroxypentyl 3-chloropropanoate.
What is the SMILES notation for 5-hydroxypentyl 3-chloropropanoate?
The canonical SMILES for 5-hydroxypentyl 3-chloropropanoate is O=C(CCCl)OCCCCCO.
What is the InChIKey of 5-hydroxypentyl 3-chloropropanoate?
The InChIKey is PGCNNUMHPMCUDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15ClO3/c9-5-4-8(11)12-7-3-1-2-6-10/h10H,1-7H2.
What are the key properties of 5-hydroxypentyl 3-chloropropanoate?
5-hydroxypentyl 3-chloropropanoate has a molecular weight of 194.66 g/mol, XLogP of 1.32, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxypentyl 3-chloropropanoate is sourced from PubChem (CID 101448120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).