butane;2-(chloromethyl)oxirane

C7H15ClO — CID 174952392

IUPACbutane;2-(chloromethyl)oxirane
SMILESCCCC.ClCC1CO1
InChIInChI=1S/C4H10.C3H5ClO/c1-3-4-2;4-1-3-2-5-3/h3-4H2,1-2H3;3H,1-2H2
InChIKeyKAVYAYVJZKEBSK-UHFFFAOYSA-N
MW150.65 g/mol
LogP2.43
Rot. Bonds2

About butane;2-(chloromethyl)oxirane

butane;2-(chloromethyl)oxirane (PubChem CID 174952392) has the molecular formula C7H15ClO and a molecular weight of 150.65 g/mol. Its IUPAC name is butane;2-(chloromethyl)oxirane.

Molecular Properties

Compound Namebutane;2-(chloromethyl)oxirane
PubChem CID174952392
Molecular FormulaC7H15ClO
Molecular Weight150.65 g/mol
Exact Mass150.08
IUPAC Namebutane;2-(chloromethyl)oxirane
SMILESCCCC.ClCC1CO1
InChIInChI=1S/C4H10.C3H5ClO/c1-3-4-2;4-1-3-2-5-3/h3-4H2,1-2H3;3H,1-2H2
InChIKeyKAVYAYVJZKEBSK-UHFFFAOYSA-N
XLogP2.43
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.65
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

2-(chloro(113C)methyl)(2,3-13C2)oxirane
CID 76973011
2-(chloromethyl)oxirane;N-methylmethanamine;hydrochloride
CID 173012465
2-(chloromethyl)oxirane;pentachloro-λ5-stibane
CID 91666506
(2S,4S)-4-(chloromethyl)-2-ethyl-1,3-dioxolane
CID 55301636
2-(chloromethyl)oxirane;oxiran-2-ylmethanamine
CID 166746758
(2R,4R)-4-(chloromethyl)-2-propoxy-1,3-dioxolane
CID 131230379
2-(chloromethyl)oxirane;isocyanic acid
CID 174878236
2-(chloromethyl)oxirane;dihydroxy(oxo)silane
CID 88521113
oxiran-2-ylmethanol;propane
CID 91466926
5-(chloromethyl)-1,4-dioxane-2,3-diol
CID 15606719
oxiran-2-ylmethanol;propylsilane
CID 174273260
tetrakis(2-ethyloxirane);methane
CID 162010408

Frequently Asked Questions

What is the IUPAC name of butane;2-(chloromethyl)oxirane?
The IUPAC name of butane;2-(chloromethyl)oxirane (CID 174952392) is butane;2-(chloromethyl)oxirane.
What is the SMILES notation for butane;2-(chloromethyl)oxirane?
The canonical SMILES for butane;2-(chloromethyl)oxirane is CCCC.ClCC1CO1.
What is the InChIKey of butane;2-(chloromethyl)oxirane?
The InChIKey is KAVYAYVJZKEBSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10.C3H5ClO/c1-3-4-2;4-1-3-2-5-3/h3-4H2,1-2H3;3H,1-2H2.
What are the key properties of butane;2-(chloromethyl)oxirane?
butane;2-(chloromethyl)oxirane has a molecular weight of 150.65 g/mol, XLogP of 2.43, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for butane;2-(chloromethyl)oxirane is sourced from PubChem (CID 174952392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).