carbonochloridic acid;oxolan-2-ylmethanol

C6H11ClO4 — CID 161118728

IUPACcarbonochloridic acid;oxolan-2-ylmethanol
SMILESO=C(O)Cl.OCC1CCCO1
InChIInChI=1S/C5H10O2.CHClO2/c6-4-5-2-1-3-7-5;2-1(3)4/h5-6H,1-4H2;(H,3,4)
InChIKeyUKQXXHNYWVUEPZ-UHFFFAOYSA-N
MW182.60 g/mol
LogP1.06
Rot. Bonds1

About carbonochloridic acid;oxolan-2-ylmethanol

carbonochloridic acid;oxolan-2-ylmethanol (PubChem CID 161118728) has the molecular formula C6H11ClO4 and a molecular weight of 182.60 g/mol. Its IUPAC name is carbonochloridic acid;oxolan-2-ylmethanol.

Molecular Properties

Compound Namecarbonochloridic acid;oxolan-2-ylmethanol
PubChem CID161118728
Molecular FormulaC6H11ClO4
Molecular Weight182.60 g/mol
Exact Mass182.03
IUPAC Namecarbonochloridic acid;oxolan-2-ylmethanol
SMILESO=C(O)Cl.OCC1CCCO1
InChIInChI=1S/C5H10O2.CHClO2/c6-4-5-2-1-3-7-5;2-1(3)4/h5-6H,1-4H2;(H,3,4)
InChIKeyUKQXXHNYWVUEPZ-UHFFFAOYSA-N
XLogP1.06
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.60
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

oxolan-2-ylmethanol;hydrochloride
CID 155166529
hydron;oxolan-2-ylmethanol
CID 174439667
methanol;[(2S)-oxolan-2-yl]methanol
CID 144618761
calcium;hydride;oxolan-2-ylmethanol
CID 173198677
[(2S)-oxan-2-yl]methanol
CID 6950811
oxane;oxolan-2-ylmethanol
CID 70368060
ethanol;oxan-2-ylmethanol
CID 66900182
ethane;[(2S)-oxan-2-yl]methanol;hydrate
CID 168916263
2-ethoxyoxolane;oxolan-2-ylmethanol
CID 160542333
N-methyl-N-(oxolan-2-ylmethyl)carbamoyl chloride
CID 79887071
3-(oxolan-2-yl)-2-(oxolan-2-ylmethyl)propanoic acid
CID 14391738
2-(oxolan-2-yl)ethanol;propan-2-one
CID 70356947

Frequently Asked Questions

What is the IUPAC name of carbonochloridic acid;oxolan-2-ylmethanol?
The IUPAC name of carbonochloridic acid;oxolan-2-ylmethanol (CID 161118728) is carbonochloridic acid;oxolan-2-ylmethanol.
What is the SMILES notation for carbonochloridic acid;oxolan-2-ylmethanol?
The canonical SMILES for carbonochloridic acid;oxolan-2-ylmethanol is O=C(O)Cl.OCC1CCCO1.
What is the InChIKey of carbonochloridic acid;oxolan-2-ylmethanol?
The InChIKey is UKQXXHNYWVUEPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10O2.CHClO2/c6-4-5-2-1-3-7-5;2-1(3)4/h5-6H,1-4H2;(H,3,4).
What are the key properties of carbonochloridic acid;oxolan-2-ylmethanol?
carbonochloridic acid;oxolan-2-ylmethanol has a molecular weight of 182.60 g/mol, XLogP of 1.06, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for carbonochloridic acid;oxolan-2-ylmethanol is sourced from PubChem (CID 161118728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).