[(5R)-1-chlorononan-5-yl] acetate

C11H21ClO2 — CID 129368430

IUPAC[(5R)-1-chlorononan-5-yl] acetate
SMILESCCCC[C@H](CCCCCl)OC(C)=O
InChIInChI=1S/C11H21ClO2/c1-3-4-7-11(14-10(2)13)8-5-6-9-12/h11H,3-9H2,1-2H3/t11-/m1/s1
InChIKeyGVCCJUUGJASLPS-LLVKDONJSA-N
MW220.74 g/mol
LogP3.52
Rot. Bonds8

About [(5R)-1-chlorononan-5-yl] acetate

[(5R)-1-chlorononan-5-yl] acetate (PubChem CID 129368430) has the molecular formula C11H21ClO2 and a molecular weight of 220.74 g/mol. Its IUPAC name is [(5R)-1-chlorononan-5-yl] acetate.

Molecular Properties

Compound Name[(5R)-1-chlorononan-5-yl] acetate
PubChem CID129368430
Molecular FormulaC11H21ClO2
Molecular Weight220.74 g/mol
Exact Mass220.12
IUPAC Name[(5R)-1-chlorononan-5-yl] acetate
SMILESCCCC[C@H](CCCCCl)OC(C)=O
InChIInChI=1S/C11H21ClO2/c1-3-4-7-11(14-10(2)13)8-5-6-9-12/h11H,3-9H2,1-2H3/t11-/m1/s1
InChIKeyGVCCJUUGJASLPS-LLVKDONJSA-N
XLogP3.52
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.74
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

tetradec-10-en-5-yl acetate
CID 54019946
[(4R)-4-acetyloxydecyl] acetate
CID 87160095
[(4R)-1-iodopentadecan-4-yl] acetate
CID 10386040
16-hydroxyhexadecan-8-yl acetate
CID 175427631
[(3S)-nonan-3-yl] acetate
CID 76967958
1-iodohexan-2-yl acetate
CID 11184782
4-acetyloxynonanoic acid
CID 168891082
2-acetyloxyhexyl(chloro)mercury
CID 71329311
(313C)heptan-4-yl acetate
CID 117065532
9-methyldodecan-6-yl acetate
CID 10657820
9-acetyloxyhexadecanoic acid
CID 134813994
9-acetyloxydocosanoic acid
CID 86038226

Frequently Asked Questions

What is the IUPAC name of [(5R)-1-chlorononan-5-yl] acetate?
The IUPAC name of [(5R)-1-chlorononan-5-yl] acetate (CID 129368430) is [(5R)-1-chlorononan-5-yl] acetate.
What is the SMILES notation for [(5R)-1-chlorononan-5-yl] acetate?
The canonical SMILES for [(5R)-1-chlorononan-5-yl] acetate is CCCC[C@H](CCCCCl)OC(C)=O.
What is the InChIKey of [(5R)-1-chlorononan-5-yl] acetate?
The InChIKey is GVCCJUUGJASLPS-LLVKDONJSA-N. The full InChI is InChI=1S/C11H21ClO2/c1-3-4-7-11(14-10(2)13)8-5-6-9-12/h11H,3-9H2,1-2H3/t11-/m1/s1.
What are the key properties of [(5R)-1-chlorononan-5-yl] acetate?
[(5R)-1-chlorononan-5-yl] acetate has a molecular weight of 220.74 g/mol, XLogP of 3.52, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(5R)-1-chlorononan-5-yl] acetate is sourced from PubChem (CID 129368430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).