1-(chloromethyl)-3-methyl-1-pentylcyclobutane

C11H21Cl — CID 165442795

IUPAC1-(chloromethyl)-3-methyl-1-pentylcyclobutane
SMILESCCCCCC1(CCl)CC(C)C1
InChIInChI=1S/C11H21Cl/c1-3-4-5-6-11(9-12)7-10(2)8-11/h10H,3-9H2,1-2H3
InChIKeyVFVJFXGNAAIDTA-UHFFFAOYSA-N
MW188.74 g/mol
LogP4.22
Rot. Bonds5

About 1-(chloromethyl)-3-methyl-1-pentylcyclobutane

1-(chloromethyl)-3-methyl-1-pentylcyclobutane (PubChem CID 165442795) has the molecular formula C11H21Cl and a molecular weight of 188.74 g/mol. Its IUPAC name is 1-(chloromethyl)-3-methyl-1-pentylcyclobutane.

Molecular Properties

Compound Name1-(chloromethyl)-3-methyl-1-pentylcyclobutane
PubChem CID165442795
Molecular FormulaC11H21Cl
Molecular Weight188.74 g/mol
Exact Mass188.13
IUPAC Name1-(chloromethyl)-3-methyl-1-pentylcyclobutane
SMILESCCCCCC1(CCl)CC(C)C1
InChIInChI=1S/C11H21Cl/c1-3-4-5-6-11(9-12)7-10(2)8-11/h10H,3-9H2,1-2H3
InChIKeyVFVJFXGNAAIDTA-UHFFFAOYSA-N
XLogP4.22
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.74
LogP ≤ 54.22
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'}

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Related Compounds

1-(chloromethyl)-3-methyl-1-pent-4-enylcyclobutane
CID 165442798
1-(chloromethyl)-1-pentylcyclohexane
CID 66036692
3-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-3-(chloromethyl)bicyclo[3.1.0]hexane
CID 104568778
1,3-dimethyl-1-pentylcyclobutane;ethane
CID 171802014
(1-hexyl-3-methylcyclohexyl)methanamine
CID 65394877
N-ethyl-4-(1-ethyl-3-methylcyclobutyl)butan-1-amine
CID 174352826
4-methyl-1-pentylcyclohexan-1-ol
CID 65147316
butane;1,2,2,4,6,6-hexamethylpiperidine;methane
CID 158536756
2,2,4,6,6-pentamethyl-1-propylpiperidine
CID 23377309
1,1-dibutyl-4-methylcyclohexane
CID 147112544
4-pentyladamantane-1,4-diol
CID 139814588
1,2,2,4,6,6-hexamethylpiperidine;octadecanoic acid
CID 21292200

Frequently Asked Questions

What is the IUPAC name of 1-(chloromethyl)-3-methyl-1-pentylcyclobutane?
The IUPAC name of 1-(chloromethyl)-3-methyl-1-pentylcyclobutane (CID 165442795) is 1-(chloromethyl)-3-methyl-1-pentylcyclobutane.
What is the SMILES notation for 1-(chloromethyl)-3-methyl-1-pentylcyclobutane?
The canonical SMILES for 1-(chloromethyl)-3-methyl-1-pentylcyclobutane is CCCCCC1(CCl)CC(C)C1.
What is the InChIKey of 1-(chloromethyl)-3-methyl-1-pentylcyclobutane?
The InChIKey is VFVJFXGNAAIDTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21Cl/c1-3-4-5-6-11(9-12)7-10(2)8-11/h10H,3-9H2,1-2H3.
What are the key properties of 1-(chloromethyl)-3-methyl-1-pentylcyclobutane?
1-(chloromethyl)-3-methyl-1-pentylcyclobutane has a molecular weight of 188.74 g/mol, XLogP of 4.22, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(chloromethyl)-3-methyl-1-pentylcyclobutane is sourced from PubChem (CID 165442795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).