5-(1-chloro-3-cyclopentylpropyl)-1,2-dihydroacenaphthylene

C20H23Cl — CID 114939639

IUPAC5-(1-chloro-3-cyclopentylpropyl)-1,2-dihydroacenaphthylene
SMILESClC(CCC1CCCC1)c1ccc2c3c(cccc13)CC2
InChIInChI=1S/C20H23Cl/c21-19(13-8-14-4-1-2-5-14)17-12-11-16-10-9-15-6-3-7-18(17)20(15)16/h3,6-7,11-12,14,19H,1-2,4-5,8-10,13H2
InChIKeyJDIMJCSACPNKMQ-UHFFFAOYSA-N
MW298.86 g/mol
LogP6.19
Rot. Bonds4

About 5-(1-chloro-3-cyclopentylpropyl)-1,2-dihydroacenaphthylene

5-(1-chloro-3-cyclopentylpropyl)-1,2-dihydroacenaphthylene (PubChem CID 114939639) has the molecular formula C20H23Cl and a molecular weight of 298.86 g/mol. Its IUPAC name is 5-(1-chloro-3-cyclopentylpropyl)-1,2-dihydroacenaphthylene.

Molecular Properties

Compound Name5-(1-chloro-3-cyclopentylpropyl)-1,2-dihydroacenaphthylene
PubChem CID114939639
Molecular FormulaC20H23Cl
Molecular Weight298.86 g/mol
Exact Mass298.15
IUPAC Name5-(1-chloro-3-cyclopentylpropyl)-1,2-dihydroacenaphthylene
SMILESClC(CCC1CCCC1)c1ccc2c3c(cccc13)CC2
InChIInChI=1S/C20H23Cl/c21-19(13-8-14-4-1-2-5-14)17-12-11-16-10-9-15-6-3-7-18(17)20(15)16/h3,6-7,11-12,14,19H,1-2,4-5,8-10,13H2
InChIKeyJDIMJCSACPNKMQ-UHFFFAOYSA-N
XLogP6.19
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500298.86
LogP ≤ 56.19
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-3,3,3-trifluoropropyl)-1,2-dihydroacenaphthylene
CID 114939684
2-cyclohexyl-1-(1,2-dihydroacenaphthylen-5-yl)ethanol
CID 114939571
2-cyclopentyl-1-(1,2-dihydroacenaphthylen-5-yl)-N-methylethanamine
CID 114939304
5-[6-bicyclo[3.1.0]hexanyl(chloro)methyl]-1,2-dihydroacenaphthylene
CID 114939681
5-(1-chloro-2,2,2-trifluoroethyl)-1,2-dihydroacenaphthylene
CID 114939619
1-(1,2-dihydroacenaphthylen-5-yl)-4,4,4-trifluorobutan-1-amine
CID 114939242
1-(1,2-dihydroacenaphthylen-5-yl)-2-propylpentan-1-amine
CID 114939227
1-(1,2-dihydroacenaphthylen-5-yl)-N-methyl-1-(oxan-2-yl)methanamine
CID 114939286
3-[chloro(1,2-dihydroacenaphthylen-5-yl)methyl]furan
CID 114939633
1,2-dihydroacenaphthylen-5-yl(oxan-4-yl)methanol
CID 114939514
5-[chloro-(3-iodophenyl)methyl]-1,2-dihydroacenaphthylene
CID 114939607

Frequently Asked Questions

What is the IUPAC name of 5-(1-chloro-3-cyclopentylpropyl)-1,2-dihydroacenaphthylene?
The IUPAC name of 5-(1-chloro-3-cyclopentylpropyl)-1,2-dihydroacenaphthylene (CID 114939639) is 5-(1-chloro-3-cyclopentylpropyl)-1,2-dihydroacenaphthylene.
What is the SMILES notation for 5-(1-chloro-3-cyclopentylpropyl)-1,2-dihydroacenaphthylene?
The canonical SMILES for 5-(1-chloro-3-cyclopentylpropyl)-1,2-dihydroacenaphthylene is ClC(CCC1CCCC1)c1ccc2c3c(cccc13)CC2.
What is the InChIKey of 5-(1-chloro-3-cyclopentylpropyl)-1,2-dihydroacenaphthylene?
The InChIKey is JDIMJCSACPNKMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23Cl/c21-19(13-8-14-4-1-2-5-14)17-12-11-16-10-9-15-6-3-7-18(17)20(15)16/h3,6-7,11-12,14,19H,1-2,4-5,8-10,13H2.
What are the key properties of 5-(1-chloro-3-cyclopentylpropyl)-1,2-dihydroacenaphthylene?
5-(1-chloro-3-cyclopentylpropyl)-1,2-dihydroacenaphthylene has a molecular weight of 298.86 g/mol, XLogP of 6.19, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-chloro-3-cyclopentylpropyl)-1,2-dihydroacenaphthylene is sourced from PubChem (CID 114939639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).