chloroethene;2-methylprop-1-ene

C6H11Cl — CID 87141348

IUPACchloroethene;2-methylprop-1-ene
SMILESC=C(C)C.C=CCl
InChIInChI=1S/C4H8.C2H3Cl/c1-4(2)3;1-2-3/h1H2,2-3H3;2H,1H2
InChIKeyANFGXIRXYUIHJM-UHFFFAOYSA-N
MW118.61 g/mol
LogP2.95
Rot. Bonds

About chloroethene;2-methylprop-1-ene

chloroethene;2-methylprop-1-ene (PubChem CID 87141348) has the molecular formula C6H11Cl and a molecular weight of 118.61 g/mol. Its IUPAC name is chloroethene;2-methylprop-1-ene.

Molecular Properties

Compound Namechloroethene;2-methylprop-1-ene
PubChem CID87141348
Molecular FormulaC6H11Cl
Molecular Weight118.61 g/mol
Exact Mass118.05
IUPAC Namechloroethene;2-methylprop-1-ene
SMILESC=C(C)C.C=CCl
InChIInChI=1S/C4H8.C2H3Cl/c1-4(2)3;1-2-3/h1H2,2-3H3;2H,1H2
InChIKeyANFGXIRXYUIHJM-UHFFFAOYSA-N
XLogP2.95
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500118.61
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

3-Chloro-2-methyl-1-propene
CID 11241
1-Propene, 1-chloro-2-methyl-
CID 10555
1-Chloro-3-methyl-2-butene
CID 10429
1-Butene, 1-chloro-2-methyl-
CID 5365943
1-Chloro-2-methylbut-1-ene
CID 549878
1,1-Dimethyl-3-chloroallene
CID 12615563
Vinylchloride propylene
CID 20485938
Chloroethene;ethene;prop-1-ene
CID 161764232
cis-1-Chloro-2-methyl-1-butene
CID 144060548
2-Methylprop-2-enylchloranium
CID 134854984
1-Chloro-2-methylprop-1-ene;2-methylprop-1-ene
CID 16212909
3-Chloro-3,3-dideuterio-2-methylprop-1-ene
CID 12206085

Frequently Asked Questions

What is the IUPAC name of chloroethene;2-methylprop-1-ene?
The IUPAC name of chloroethene;2-methylprop-1-ene (CID 87141348) is chloroethene;2-methylprop-1-ene.
What is the SMILES notation for chloroethene;2-methylprop-1-ene?
The canonical SMILES for chloroethene;2-methylprop-1-ene is C=C(C)C.C=CCl.
What is the InChIKey of chloroethene;2-methylprop-1-ene?
The InChIKey is ANFGXIRXYUIHJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8.C2H3Cl/c1-4(2)3;1-2-3/h1H2,2-3H3;2H,1H2.
What are the key properties of chloroethene;2-methylprop-1-ene?
chloroethene;2-methylprop-1-ene has a molecular weight of 118.61 g/mol, XLogP of 2.95, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for chloroethene;2-methylprop-1-ene is sourced from PubChem (CID 87141348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).