5-[6-bicyclo[3.1.0]hexanyl(chloro)methyl]-1,2-dihydroacenaphthylene

C19H19Cl — CID 114939681

IUPAC5-[6-bicyclo[3.1.0]hexanyl(chloro)methyl]-1,2-dihydroacenaphthylene
SMILESClC(c1ccc2c3c(cccc13)CC2)C1C2CCCC21
InChIInChI=1S/C19H19Cl/c20-19(18-13-5-2-6-14(13)18)16-10-9-12-8-7-11-3-1-4-15(16)17(11)12/h1,3-4,9-10,13-14,18-19H,2,5-8H2
InChIKeyKXYSPGDUMSMJEG-UHFFFAOYSA-N
MW282.81 g/mol
LogP5.26
Rot. Bonds2

About 5-[6-bicyclo[3.1.0]hexanyl(chloro)methyl]-1,2-dihydroacenaphthylene

5-[6-bicyclo[3.1.0]hexanyl(chloro)methyl]-1,2-dihydroacenaphthylene (PubChem CID 114939681) has the molecular formula C19H19Cl and a molecular weight of 282.81 g/mol. Its IUPAC name is 5-[6-bicyclo[3.1.0]hexanyl(chloro)methyl]-1,2-dihydroacenaphthylene.

Molecular Properties

Compound Name5-[6-bicyclo[3.1.0]hexanyl(chloro)methyl]-1,2-dihydroacenaphthylene
PubChem CID114939681
Molecular FormulaC19H19Cl
Molecular Weight282.81 g/mol
Exact Mass282.12
IUPAC Name5-[6-bicyclo[3.1.0]hexanyl(chloro)methyl]-1,2-dihydroacenaphthylene
SMILESClC(c1ccc2c3c(cccc13)CC2)C1C2CCCC21
InChIInChI=1S/C19H19Cl/c20-19(18-13-5-2-6-14(13)18)16-10-9-12-8-7-11-3-1-4-15(16)17(11)12/h1,3-4,9-10,13-14,18-19H,2,5-8H2
InChIKeyKXYSPGDUMSMJEG-UHFFFAOYSA-N
XLogP5.26
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500282.81
LogP ≤ 55.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

5-[7-bicyclo[4.1.0]heptanyl(chloro)methyl]-1,2-dihydroacenaphthylene
CID 114939601
5-(1-chloro-3-cyclopentylpropyl)-1,2-dihydroacenaphthylene
CID 114939639
5-(1-chloro-2,2,2-trifluoroethyl)-1,2-dihydroacenaphthylene
CID 114939619
2-cyclohexyl-1-(1,2-dihydroacenaphthylen-5-yl)ethanol
CID 114939571
5-(1-chloro-3,3,3-trifluoropropyl)-1,2-dihydroacenaphthylene
CID 114939684
2-cyclopentyl-1-(1,2-dihydroacenaphthylen-5-yl)-N-methylethanamine
CID 114939304
5-[chloro-(3-iodophenyl)methyl]-1,2-dihydroacenaphthylene
CID 114939607
1,2-dihydroacenaphthylen-5-yl(oxan-4-yl)methanol
CID 114939514
3-[chloro(1,2-dihydroacenaphthylen-5-yl)methyl]furan
CID 114939633
(R)-(2-chlorophenyl)-(1,2-dihydroacenaphthylen-5-yl)methanol
CID 99707210
(1R)-1-(1,2-dihydroacenaphthylen-5-yl)-2,2,2-trifluoroethanamine
CID 66510294
5-(1-bromo-2,2,2-trifluoroethyl)-1,2-dihydroacenaphthylene
CID 114939714

Frequently Asked Questions

What is the IUPAC name of 5-[6-bicyclo[3.1.0]hexanyl(chloro)methyl]-1,2-dihydroacenaphthylene?
The IUPAC name of 5-[6-bicyclo[3.1.0]hexanyl(chloro)methyl]-1,2-dihydroacenaphthylene (CID 114939681) is 5-[6-bicyclo[3.1.0]hexanyl(chloro)methyl]-1,2-dihydroacenaphthylene.
What is the SMILES notation for 5-[6-bicyclo[3.1.0]hexanyl(chloro)methyl]-1,2-dihydroacenaphthylene?
The canonical SMILES for 5-[6-bicyclo[3.1.0]hexanyl(chloro)methyl]-1,2-dihydroacenaphthylene is ClC(c1ccc2c3c(cccc13)CC2)C1C2CCCC21.
What is the InChIKey of 5-[6-bicyclo[3.1.0]hexanyl(chloro)methyl]-1,2-dihydroacenaphthylene?
The InChIKey is KXYSPGDUMSMJEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19Cl/c20-19(18-13-5-2-6-14(13)18)16-10-9-12-8-7-11-3-1-4-15(16)17(11)12/h1,3-4,9-10,13-14,18-19H,2,5-8H2.
What are the key properties of 5-[6-bicyclo[3.1.0]hexanyl(chloro)methyl]-1,2-dihydroacenaphthylene?
5-[6-bicyclo[3.1.0]hexanyl(chloro)methyl]-1,2-dihydroacenaphthylene has a molecular weight of 282.81 g/mol, XLogP of 5.26, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[6-bicyclo[3.1.0]hexanyl(chloro)methyl]-1,2-dihydroacenaphthylene is sourced from PubChem (CID 114939681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).