1-cyclopentyl-3-methylnaphthalene

C16H18 — CID 153311987

IUPAC1-cyclopentyl-3-methylnaphthalene
SMILESCc1cc(C2CCCC2)c2ccccc2c1
InChIInChI=1S/C16H18/c1-12-10-14-8-4-5-9-15(14)16(11-12)13-6-2-3-7-13/h4-5,8-11,13H,2-3,6-7H2,1H3
InChIKeyBCRKNVATWAPLMP-UHFFFAOYSA-N
MW210.32 g/mol
LogP4.81
Rot. Bonds1

About 1-cyclopentyl-3-methylnaphthalene

1-cyclopentyl-3-methylnaphthalene (PubChem CID 153311987) has the molecular formula C16H18 and a molecular weight of 210.32 g/mol. Its IUPAC name is 1-cyclopentyl-3-methylnaphthalene.

Molecular Properties

Compound Name1-cyclopentyl-3-methylnaphthalene
PubChem CID153311987
Molecular FormulaC16H18
Molecular Weight210.32 g/mol
Exact Mass210.14
IUPAC Name1-cyclopentyl-3-methylnaphthalene
SMILESCc1cc(C2CCCC2)c2ccccc2c1
InChIInChI=1S/C16H18/c1-12-10-14-8-4-5-9-15(14)16(11-12)13-6-2-3-7-13/h4-5,8-11,13H,2-3,6-7H2,1H3
InChIKeyBCRKNVATWAPLMP-UHFFFAOYSA-N
XLogP4.81
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-3-methylnaphthalene?
The IUPAC name of 1-cyclopentyl-3-methylnaphthalene (CID 153311987) is 1-cyclopentyl-3-methylnaphthalene.
What is the SMILES notation for 1-cyclopentyl-3-methylnaphthalene?
The canonical SMILES for 1-cyclopentyl-3-methylnaphthalene is Cc1cc(C2CCCC2)c2ccccc2c1.
What is the InChIKey of 1-cyclopentyl-3-methylnaphthalene?
The InChIKey is BCRKNVATWAPLMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18/c1-12-10-14-8-4-5-9-15(14)16(11-12)13-6-2-3-7-13/h4-5,8-11,13H,2-3,6-7H2,1H3.
What are the key properties of 1-cyclopentyl-3-methylnaphthalene?
1-cyclopentyl-3-methylnaphthalene has a molecular weight of 210.32 g/mol, XLogP of 4.81, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-3-methylnaphthalene is sourced from PubChem (CID 153311987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).