1-(chloro(113C)methylidene)-3-hexylcyclobutane

C11H19Cl — CID 10797681

IUPAC1-(chloro(113C)methylidene)-3-hexylcyclobutane
SMILESCCCCCCC1CC(=[13CH]Cl)C1
InChIInChI=1S/C11H19Cl/c1-2-3-4-5-6-10-7-11(8-10)9-12/h9-10H,2-8H2,1H3/b11-9-/i9+1
InChIKeyAYQLLEMGNFNIAZ-HOCNTSFOSA-N
MW187.72 g/mol
LogP4.49
Rot. Bonds5

About 1-(chloro(113C)methylidene)-3-hexylcyclobutane

1-(chloro(113C)methylidene)-3-hexylcyclobutane (PubChem CID 10797681) has the molecular formula C11H19Cl and a molecular weight of 187.72 g/mol. Its IUPAC name is 1-(chloro(113C)methylidene)-3-hexylcyclobutane.

Molecular Properties

Compound Name1-(chloro(113C)methylidene)-3-hexylcyclobutane
PubChem CID10797681
Molecular FormulaC11H19Cl
Molecular Weight187.72 g/mol
Exact Mass187.12
IUPAC Name1-(chloro(113C)methylidene)-3-hexylcyclobutane
SMILESCCCCCCC1CC(=[13CH]Cl)C1
InChIInChI=1S/C11H19Cl/c1-2-3-4-5-6-10-7-11(8-10)9-12/h9-10H,2-8H2,1H3/b11-9-/i9+1
InChIKeyAYQLLEMGNFNIAZ-HOCNTSFOSA-N
XLogP4.49
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.72
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-hexyl-3-(iodo(113C)methylidene)cyclobutane
CID 10850272
4-undecylcyclopentane-1,2-dione
CID 54303237
(1E)-1-ethylidene-3-octylcyclopentane
CID 24977760
5-tridecylcyclohexane-1,3-dione
CID 71394051
1-dodecyl-4-pentadecylcyclohexane
CID 123560684
tetradecane;undecylcyclopropane
CID 173215670
1,4-dihexylcyclohexane
CID 22947938
octadecane;pentadecylcyclopropane
CID 173301851
3-hexylbicyclo[3.1.0]hexane
CID 142241638
azane;hexylcyclopropane
CID 135322230
hexane;pentylcyclopropane
CID 159592467
4-hexylpyrrolidin-2-one
CID 18921442

Frequently Asked Questions

What is the IUPAC name of 1-(chloro(113C)methylidene)-3-hexylcyclobutane?
The IUPAC name of 1-(chloro(113C)methylidene)-3-hexylcyclobutane (CID 10797681) is 1-(chloro(113C)methylidene)-3-hexylcyclobutane.
What is the SMILES notation for 1-(chloro(113C)methylidene)-3-hexylcyclobutane?
The canonical SMILES for 1-(chloro(113C)methylidene)-3-hexylcyclobutane is CCCCCCC1CC(=[13CH]Cl)C1.
What is the InChIKey of 1-(chloro(113C)methylidene)-3-hexylcyclobutane?
The InChIKey is AYQLLEMGNFNIAZ-HOCNTSFOSA-N. The full InChI is InChI=1S/C11H19Cl/c1-2-3-4-5-6-10-7-11(8-10)9-12/h9-10H,2-8H2,1H3/b11-9-/i9+1.
What are the key properties of 1-(chloro(113C)methylidene)-3-hexylcyclobutane?
1-(chloro(113C)methylidene)-3-hexylcyclobutane has a molecular weight of 187.72 g/mol, XLogP of 4.49, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(chloro(113C)methylidene)-3-hexylcyclobutane is sourced from PubChem (CID 10797681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).