methane;pentanoyl chloride

C6H13ClO — CID 157371076

IUPACmethane;pentanoyl chloride
SMILESC.CCCCC(=O)Cl
InChIInChI=1S/C5H9ClO.CH4/c1-2-3-4-5(6)7;/h2-4H2,1H3;1H4
InChIKeyBJTQTDPLWMOAGM-UHFFFAOYSA-N
MW136.62 g/mol
LogP2.58
Rot. Bonds3

About methane;pentanoyl chloride

methane;pentanoyl chloride (PubChem CID 157371076) has the molecular formula C6H13ClO and a molecular weight of 136.62 g/mol. Its IUPAC name is methane;pentanoyl chloride.

Molecular Properties

Compound Namemethane;pentanoyl chloride
PubChem CID157371076
Molecular FormulaC6H13ClO
Molecular Weight136.62 g/mol
Exact Mass136.07
IUPAC Namemethane;pentanoyl chloride
SMILESC.CCCCC(=O)Cl
InChIInChI=1S/C5H9ClO.CH4/c1-2-3-4-5(6)7;/h2-4H2,1H3;1H4
InChIKeyBJTQTDPLWMOAGM-UHFFFAOYSA-N
XLogP2.58
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.62
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

CID 8855
CID 8855
CID 61186
CID 61186
CID 74089
CID 74089
CID 17313
CID 17313
CID 67340
CID 67340
CID 170008
CID 170008
CID 107385
CID 107385
CID 12648279
CID 12648279
CID 12603962
CID 12603962
CID 13706733
CID 13706733
CID 87584281
CID 87584281
CID 105428004
CID 105428004

Frequently Asked Questions

What is the IUPAC name of methane;pentanoyl chloride?
The IUPAC name of methane;pentanoyl chloride (CID 157371076) is methane;pentanoyl chloride.
What is the SMILES notation for methane;pentanoyl chloride?
The canonical SMILES for methane;pentanoyl chloride is C.CCCCC(=O)Cl.
What is the InChIKey of methane;pentanoyl chloride?
The InChIKey is BJTQTDPLWMOAGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9ClO.CH4/c1-2-3-4-5(6)7;/h2-4H2,1H3;1H4.
What are the key properties of methane;pentanoyl chloride?
methane;pentanoyl chloride has a molecular weight of 136.62 g/mol, XLogP of 2.58, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for methane;pentanoyl chloride is sourced from PubChem (CID 157371076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).