4-[(1R,2R)-2-pentylcyclopropyl]-1,2-dihydronaphthalene

C18H24 — CID 15891544

IUPAC4-[(1R,2R)-2-pentylcyclopropyl]-1,2-dihydronaphthalene
SMILESCCCCC[C@@H]1C[C@H]1C1=CCCc2ccccc21
InChIInChI=1S/C18H24/c1-2-3-4-9-15-13-18(15)17-12-7-10-14-8-5-6-11-16(14)17/h5-6,8,11-12,15,18H,2-4,7,9-10,13H2,1H3/t15-,18-/m1/s1
InChIKeyQYVZAVQJWICVFD-CRAIPNDOSA-N
MW240.39 g/mol
LogP5.23
Rot. Bonds5

About 4-[(1R,2R)-2-pentylcyclopropyl]-1,2-dihydronaphthalene

4-[(1R,2R)-2-pentylcyclopropyl]-1,2-dihydronaphthalene (PubChem CID 15891544) has the molecular formula C18H24 and a molecular weight of 240.39 g/mol. Its IUPAC name is 4-[(1R,2R)-2-pentylcyclopropyl]-1,2-dihydronaphthalene.

Molecular Properties

Compound Name4-[(1R,2R)-2-pentylcyclopropyl]-1,2-dihydronaphthalene
PubChem CID15891544
Molecular FormulaC18H24
Molecular Weight240.39 g/mol
Exact Mass240.19
IUPAC Name4-[(1R,2R)-2-pentylcyclopropyl]-1,2-dihydronaphthalene
SMILESCCCCC[C@@H]1C[C@H]1C1=CCCc2ccccc21
InChIInChI=1S/C18H24/c1-2-3-4-9-15-13-18(15)17-12-7-10-14-8-5-6-11-16(14)17/h5-6,8,11-12,15,18H,2-4,7,9-10,13H2,1H3/t15-,18-/m1/s1
InChIKeyQYVZAVQJWICVFD-CRAIPNDOSA-N
XLogP5.23
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500240.39
LogP ≤ 55.23
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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Frequently Asked Questions

What is the IUPAC name of 4-[(1R,2R)-2-pentylcyclopropyl]-1,2-dihydronaphthalene?
The IUPAC name of 4-[(1R,2R)-2-pentylcyclopropyl]-1,2-dihydronaphthalene (CID 15891544) is 4-[(1R,2R)-2-pentylcyclopropyl]-1,2-dihydronaphthalene.
What is the SMILES notation for 4-[(1R,2R)-2-pentylcyclopropyl]-1,2-dihydronaphthalene?
The canonical SMILES for 4-[(1R,2R)-2-pentylcyclopropyl]-1,2-dihydronaphthalene is CCCCC[C@@H]1C[C@H]1C1=CCCc2ccccc21.
What is the InChIKey of 4-[(1R,2R)-2-pentylcyclopropyl]-1,2-dihydronaphthalene?
The InChIKey is QYVZAVQJWICVFD-CRAIPNDOSA-N. The full InChI is InChI=1S/C18H24/c1-2-3-4-9-15-13-18(15)17-12-7-10-14-8-5-6-11-16(14)17/h5-6,8,11-12,15,18H,2-4,7,9-10,13H2,1H3/t15-,18-/m1/s1.
What are the key properties of 4-[(1R,2R)-2-pentylcyclopropyl]-1,2-dihydronaphthalene?
4-[(1R,2R)-2-pentylcyclopropyl]-1,2-dihydronaphthalene has a molecular weight of 240.39 g/mol, XLogP of 5.23, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1R,2R)-2-pentylcyclopropyl]-1,2-dihydronaphthalene is sourced from PubChem (CID 15891544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).