4-(chloromethyl)-4-pent-4-enylcyclopentene

C11H17Cl — CID 165443647

IUPAC4-(chloromethyl)-4-pent-4-enylcyclopentene
SMILESC=CCCCC1(CCl)CC=CC1
InChIInChI=1S/C11H17Cl/c1-2-3-4-7-11(10-12)8-5-6-9-11/h2,5-6H,1,3-4,7-10H2
InChIKeyNUBZCKXRFKXSBZ-UHFFFAOYSA-N
MW184.71 g/mol
LogP3.92
Rot. Bonds5

About 4-(chloromethyl)-4-pent-4-enylcyclopentene

4-(chloromethyl)-4-pent-4-enylcyclopentene (PubChem CID 165443647) has the molecular formula C11H17Cl and a molecular weight of 184.71 g/mol. Its IUPAC name is 4-(chloromethyl)-4-pent-4-enylcyclopentene.

Molecular Properties

Compound Name4-(chloromethyl)-4-pent-4-enylcyclopentene
PubChem CID165443647
Molecular FormulaC11H17Cl
Molecular Weight184.71 g/mol
Exact Mass184.10
IUPAC Name4-(chloromethyl)-4-pent-4-enylcyclopentene
SMILESC=CCCCC1(CCl)CC=CC1
InChIInChI=1S/C11H17Cl/c1-2-3-4-7-11(10-12)8-5-6-9-11/h2,5-6H,1,3-4,7-10H2
InChIKeyNUBZCKXRFKXSBZ-UHFFFAOYSA-N
XLogP3.92
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.71
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-(chloromethyl)-3-methyl-1-pent-4-enylcyclobutane
CID 165442798
1-(chloromethyl)-1-prop-2-enylcyclopropane
CID 130618366
4-(chloromethyl)-4-(2-methylsulfanylethyl)cyclopentene
CID 165443637
(1R,2R)-1-hept-6-enyl-2-prop-2-enylcyclooct-5-ene-1,2-diol
CID 98167493
3-but-3-enyl-3-(chloromethyl)bicyclo[3.1.0]hexane
CID 165443200
1-pent-4-enylcyclopropane-1-carbaldehyde
CID 126997266
(4S)-4-methyl-4-pent-4-enylcyclopent-2-en-1-one
CID 42643548
heptacosa-1,26-diene
CID 58905535
heptadeca-1,16-diene
CID 6429392
2,2-bis(pent-4-enyl)-1,3-dithiane
CID 132538518
3,4-dichloro-1-pent-4-enylpyrrole-2,5-dione
CID 10609708
4-but-3-enyl-4-(methoxymethoxy)cyclopentene
CID 101200194

Frequently Asked Questions

What is the IUPAC name of 4-(chloromethyl)-4-pent-4-enylcyclopentene?
The IUPAC name of 4-(chloromethyl)-4-pent-4-enylcyclopentene (CID 165443647) is 4-(chloromethyl)-4-pent-4-enylcyclopentene.
What is the SMILES notation for 4-(chloromethyl)-4-pent-4-enylcyclopentene?
The canonical SMILES for 4-(chloromethyl)-4-pent-4-enylcyclopentene is C=CCCCC1(CCl)CC=CC1.
What is the InChIKey of 4-(chloromethyl)-4-pent-4-enylcyclopentene?
The InChIKey is NUBZCKXRFKXSBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17Cl/c1-2-3-4-7-11(10-12)8-5-6-9-11/h2,5-6H,1,3-4,7-10H2.
What are the key properties of 4-(chloromethyl)-4-pent-4-enylcyclopentene?
4-(chloromethyl)-4-pent-4-enylcyclopentene has a molecular weight of 184.71 g/mol, XLogP of 3.92, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(chloromethyl)-4-pent-4-enylcyclopentene is sourced from PubChem (CID 165443647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).