2-pentan-2-yl-3H-cyclopenta[a]naphthalene

C18H20 — CID 173134374

IUPAC2-pentan-2-yl-3H-cyclopenta[a]naphthalene
SMILESCCCC(C)C1=Cc2c(ccc3ccccc23)C1
InChIInChI=1S/C18H20/c1-3-6-13(2)16-11-15-10-9-14-7-4-5-8-17(14)18(15)12-16/h4-5,7-10,12-13H,3,6,11H2,1-2H3
InChIKeySCMGSTLIFBLNMC-UHFFFAOYSA-N
MW236.36 g/mol
LogP5.22
Rot. Bonds3

About 2-pentan-2-yl-3H-cyclopenta[a]naphthalene

2-pentan-2-yl-3H-cyclopenta[a]naphthalene (PubChem CID 173134374) has the molecular formula C18H20 and a molecular weight of 236.36 g/mol. Its IUPAC name is 2-pentan-2-yl-3H-cyclopenta[a]naphthalene.

Molecular Properties

Compound Name2-pentan-2-yl-3H-cyclopenta[a]naphthalene
PubChem CID173134374
Molecular FormulaC18H20
Molecular Weight236.36 g/mol
Exact Mass236.16
IUPAC Name2-pentan-2-yl-3H-cyclopenta[a]naphthalene
SMILESCCCC(C)C1=Cc2c(ccc3ccccc23)C1
InChIInChI=1S/C18H20/c1-3-6-13(2)16-11-15-10-9-14-7-4-5-8-17(14)18(15)12-16/h4-5,7-10,12-13H,3,6,11H2,1-2H3
InChIKeySCMGSTLIFBLNMC-UHFFFAOYSA-N
XLogP5.22
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500236.36
LogP ≤ 55.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2-pentan-2-yl-3H-cyclopenta[a]naphthalene?
The IUPAC name of 2-pentan-2-yl-3H-cyclopenta[a]naphthalene (CID 173134374) is 2-pentan-2-yl-3H-cyclopenta[a]naphthalene.
What is the SMILES notation for 2-pentan-2-yl-3H-cyclopenta[a]naphthalene?
The canonical SMILES for 2-pentan-2-yl-3H-cyclopenta[a]naphthalene is CCCC(C)C1=Cc2c(ccc3ccccc23)C1.
What is the InChIKey of 2-pentan-2-yl-3H-cyclopenta[a]naphthalene?
The InChIKey is SCMGSTLIFBLNMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20/c1-3-6-13(2)16-11-15-10-9-14-7-4-5-8-17(14)18(15)12-16/h4-5,7-10,12-13H,3,6,11H2,1-2H3.
What are the key properties of 2-pentan-2-yl-3H-cyclopenta[a]naphthalene?
2-pentan-2-yl-3H-cyclopenta[a]naphthalene has a molecular weight of 236.36 g/mol, XLogP of 5.22, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pentan-2-yl-3H-cyclopenta[a]naphthalene is sourced from PubChem (CID 173134374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).