2-cyclohexyl-2-hydroxyacetyl chloride

C8H13ClO2 — CID 87847920

IUPAC2-cyclohexyl-2-hydroxyacetyl chloride
SMILESO=C(Cl)C(O)C1CCCCC1
InChIInChI=1S/C8H13ClO2/c9-8(11)7(10)6-4-2-1-3-5-6/h6-7,10H,1-5H2
InChIKeyDJCBICNFOLSBTN-UHFFFAOYSA-N
MW176.64 g/mol
LogP1.69
Rot. Bonds2

About 2-cyclohexyl-2-hydroxyacetyl chloride

2-cyclohexyl-2-hydroxyacetyl chloride (PubChem CID 87847920) has the molecular formula C8H13ClO2 and a molecular weight of 176.64 g/mol. Its IUPAC name is 2-cyclohexyl-2-hydroxyacetyl chloride.

Molecular Properties

Compound Name2-cyclohexyl-2-hydroxyacetyl chloride
PubChem CID87847920
Molecular FormulaC8H13ClO2
Molecular Weight176.64 g/mol
Exact Mass176.06
IUPAC Name2-cyclohexyl-2-hydroxyacetyl chloride
SMILESO=C(Cl)C(O)C1CCCCC1
InChIInChI=1S/C8H13ClO2/c9-8(11)7(10)6-4-2-1-3-5-6/h6-7,10H,1-5H2
InChIKeyDJCBICNFOLSBTN-UHFFFAOYSA-N
XLogP1.69
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.64
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2R)-2-cycloheptyl-2-hydroxyacetic acid
CID 158640375
2-cyclohexylpropanoyl chloride
CID 3016042
CID 89276042
CID 89276042
2-cyclopentylpropanoyl chloride
CID 18426767
methyl 2-cyclododecyl-2-hydroxyacetate
CID 66287971
N-(1,2,3,3a,4,5,6,7,8,8a-decahydroazulen-2-yl)-2-cyclopropyl-2-hydroxyacetamide
CID 166281340
(2S)-2-cyclobutyl-2-hydroxyacetic acid
CID 118175739
1-cycloheptyl-1,4-dihydroxybutane-2,3-dione
CID 123320630
2-cyclopentyl-2-hydroxyethaneperoxoic acid
CID 90238839
1-cyclohexyl-2-cyclopentylethane-1,2-diol
CID 103459295
2-cyclobutyl-2-hydroxyacetamide
CID 69459333
1,4-dicyclohexyl-1-hydroxybutan-2-one
CID 114191974

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-2-hydroxyacetyl chloride?
The IUPAC name of 2-cyclohexyl-2-hydroxyacetyl chloride (CID 87847920) is 2-cyclohexyl-2-hydroxyacetyl chloride.
What is the SMILES notation for 2-cyclohexyl-2-hydroxyacetyl chloride?
The canonical SMILES for 2-cyclohexyl-2-hydroxyacetyl chloride is O=C(Cl)C(O)C1CCCCC1.
What is the InChIKey of 2-cyclohexyl-2-hydroxyacetyl chloride?
The InChIKey is DJCBICNFOLSBTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13ClO2/c9-8(11)7(10)6-4-2-1-3-5-6/h6-7,10H,1-5H2.
What are the key properties of 2-cyclohexyl-2-hydroxyacetyl chloride?
2-cyclohexyl-2-hydroxyacetyl chloride has a molecular weight of 176.64 g/mol, XLogP of 1.69, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-2-hydroxyacetyl chloride is sourced from PubChem (CID 87847920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).