3-(chloromethyl)pent-2-ene

C6H11Cl — CID 123349143

IUPAC3-(chloromethyl)pent-2-ene
SMILESCC=C(CC)CCl
InChIInChI=1S/C6H11Cl/c1-3-6(4-2)5-7/h3H,4-5H2,1-2H3
InChIKeyCEOXTTPHHLDYKZ-UHFFFAOYSA-N
MW118.61 g/mol
LogP2.58
Rot. Bonds2

About 3-(chloromethyl)pent-2-ene

3-(chloromethyl)pent-2-ene (PubChem CID 123349143) has the molecular formula C6H11Cl and a molecular weight of 118.61 g/mol. Its IUPAC name is 3-(chloromethyl)pent-2-ene.

Molecular Properties

Compound Name3-(chloromethyl)pent-2-ene
PubChem CID123349143
Molecular FormulaC6H11Cl
Molecular Weight118.61 g/mol
Exact Mass118.05
IUPAC Name3-(chloromethyl)pent-2-ene
SMILESCC=C(CC)CCl
InChIInChI=1S/C6H11Cl/c1-3-6(4-2)5-7/h3H,4-5H2,1-2H3
InChIKeyCEOXTTPHHLDYKZ-UHFFFAOYSA-N
XLogP2.58
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500118.61
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

(E)-4-(chloromethyl)hex-4-en-1-ol
CID 12869748
1-chloro-3-ethylpent-2-ene
CID 15197587
chloromethane;ethane;3-ethylpent-2-ene;N-methylmethanimine
CID 143344106
(Z)-3-ethylpent-3-en-1-ol
CID 21279610
2-(2-ethylbut-2-enyl)phosphirane
CID 123485530
2-(chloromethyl)but-1-enylbenzene
CID 54330617
3-(chloromethylidene)pentane;silane
CID 175302287
(5Z)-3,5-diethylocta-2,5-diene
CID 123811464
3-ethyl-6-methylideneoct-2-ene
CID 123634534
(E)-N,2-diethylbut-2-en-1-amine
CID 144565288
2-[2-(chloromethyl)but-1-enyl]-1,3,5-trimethylbenzene
CID 79335494
3-[(Z)-2-(chloromethyl)but-1-enyl]furan
CID 131350500

Frequently Asked Questions

What is the IUPAC name of 3-(chloromethyl)pent-2-ene?
The IUPAC name of 3-(chloromethyl)pent-2-ene (CID 123349143) is 3-(chloromethyl)pent-2-ene.
What is the SMILES notation for 3-(chloromethyl)pent-2-ene?
The canonical SMILES for 3-(chloromethyl)pent-2-ene is CC=C(CC)CCl.
What is the InChIKey of 3-(chloromethyl)pent-2-ene?
The InChIKey is CEOXTTPHHLDYKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11Cl/c1-3-6(4-2)5-7/h3H,4-5H2,1-2H3.
What are the key properties of 3-(chloromethyl)pent-2-ene?
3-(chloromethyl)pent-2-ene has a molecular weight of 118.61 g/mol, XLogP of 2.58, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(chloromethyl)pent-2-ene is sourced from PubChem (CID 123349143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).