(2R)-oxolane-2-carbonyl chloride;(2R)-oxolane-2-carboxylic acid

C10H15ClO5 — CID 87727117

IUPAC(2R)-oxolane-2-carbonyl chloride;(2R)-oxolane-2-carboxylic acid
SMILESO=C(Cl)[C@H]1CCCO1.O=C(O)[C@H]1CCCO1
InChIInChI=1S/C5H7ClO2.C5H8O3/c2*6-5(7)4-2-1-3-8-4/h4H,1-3H2;4H,1-3H2,(H,6,7)/t2*4-/m11/s1
InChIKeyBRDLORMYXMZTFV-DGPROHSZSA-N
MW250.68 g/mol
LogP1.18
Rot. Bonds2

About (2R)-oxolane-2-carbonyl chloride;(2R)-oxolane-2-carboxylic acid

(2R)-oxolane-2-carbonyl chloride;(2R)-oxolane-2-carboxylic acid (PubChem CID 87727117) has the molecular formula C10H15ClO5 and a molecular weight of 250.68 g/mol. Its IUPAC name is (2R)-oxolane-2-carbonyl chloride;(2R)-oxolane-2-carboxylic acid.

Molecular Properties

Compound Name(2R)-oxolane-2-carbonyl chloride;(2R)-oxolane-2-carboxylic acid
PubChem CID87727117
Molecular FormulaC10H15ClO5
Molecular Weight250.68 g/mol
Exact Mass250.06
IUPAC Name(2R)-oxolane-2-carbonyl chloride;(2R)-oxolane-2-carboxylic acid
SMILESO=C(Cl)[C@H]1CCCO1.O=C(O)[C@H]1CCCO1
InChIInChI=1S/C5H7ClO2.C5H8O3/c2*6-5(7)4-2-1-3-8-4/h4H,1-3H2;4H,1-3H2,(H,6,7)/t2*4-/m11/s1
InChIKeyBRDLORMYXMZTFV-DGPROHSZSA-N
XLogP1.18
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.68
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

oxolane-2-carboxylic acid;silver
CID 160678639
dichlorocobalt;oxolane-2-carboxylic acid
CID 70626660
hafnium;bis(oxolane-2-carboxylic acid);tetrahydrochloride
CID 173287990
bis(oxolane-2-carboxylate);oxolane-2-carboxylic acid;titanium(3+);chloride
CID 157205388
hexane;methanol;oxolane-2-carboxylic acid
CID 70354682
2-methylpropane-1,3-diol;oxolane-2-carboxylic acid
CID 159609797
1-[(2S)-oxolane-2-carbonyl]azetidine-3-carboxylic acid
CID 104855720
azanium (2R)-oxolane-2-carboxylate
CID 141340270
oxane-2-carboxylic acid;phenylmethanamine
CID 134128733
cyclopropyl(oxolan-2-yl)methanone
CID 65331065
carbonochloridic acid;oxolan-2-ylmethanol
CID 161118728
2,3,3-tris(oxolan-2-yl)prop-2-enoic acid
CID 66885031

Frequently Asked Questions

What is the IUPAC name of (2R)-oxolane-2-carbonyl chloride;(2R)-oxolane-2-carboxylic acid?
The IUPAC name of (2R)-oxolane-2-carbonyl chloride;(2R)-oxolane-2-carboxylic acid (CID 87727117) is (2R)-oxolane-2-carbonyl chloride;(2R)-oxolane-2-carboxylic acid.
What is the SMILES notation for (2R)-oxolane-2-carbonyl chloride;(2R)-oxolane-2-carboxylic acid?
The canonical SMILES for (2R)-oxolane-2-carbonyl chloride;(2R)-oxolane-2-carboxylic acid is O=C(Cl)[C@H]1CCCO1.O=C(O)[C@H]1CCCO1.
What is the InChIKey of (2R)-oxolane-2-carbonyl chloride;(2R)-oxolane-2-carboxylic acid?
The InChIKey is BRDLORMYXMZTFV-DGPROHSZSA-N. The full InChI is InChI=1S/C5H7ClO2.C5H8O3/c2*6-5(7)4-2-1-3-8-4/h4H,1-3H2;4H,1-3H2,(H,6,7)/t2*4-/m11/s1.
What are the key properties of (2R)-oxolane-2-carbonyl chloride;(2R)-oxolane-2-carboxylic acid?
(2R)-oxolane-2-carbonyl chloride;(2R)-oxolane-2-carboxylic acid has a molecular weight of 250.68 g/mol, XLogP of 1.18, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-oxolane-2-carbonyl chloride;(2R)-oxolane-2-carboxylic acid is sourced from PubChem (CID 87727117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).