9-tert-butyl-3H-cyclopenta[a]naphthalene

C17H18 — CID 148527121

IUPAC9-tert-butyl-3H-cyclopenta[a]naphthalene
SMILESCC(C)(C)c1cccc2ccc3c(c12)C=CC3
InChIInChI=1S/C17H18/c1-17(2,3)15-9-5-7-13-11-10-12-6-4-8-14(12)16(13)15/h4-5,7-11H,6H2,1-3H3
InChIKeyMPOCJSJDCLWCPT-UHFFFAOYSA-N
MW222.33 g/mol
LogP4.71
Rot. Bonds

About 9-tert-butyl-3H-cyclopenta[a]naphthalene

9-tert-butyl-3H-cyclopenta[a]naphthalene (PubChem CID 148527121) has the molecular formula C17H18 and a molecular weight of 222.33 g/mol. Its IUPAC name is 9-tert-butyl-3H-cyclopenta[a]naphthalene.

Molecular Properties

Compound Name9-tert-butyl-3H-cyclopenta[a]naphthalene
PubChem CID148527121
Molecular FormulaC17H18
Molecular Weight222.33 g/mol
Exact Mass222.14
IUPAC Name9-tert-butyl-3H-cyclopenta[a]naphthalene
SMILESCC(C)(C)c1cccc2ccc3c(c12)C=CC3
InChIInChI=1S/C17H18/c1-17(2,3)15-9-5-7-13-11-10-12-6-4-8-14(12)16(13)15/h4-5,7-11H,6H2,1-3H3
InChIKeyMPOCJSJDCLWCPT-UHFFFAOYSA-N
XLogP4.71
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 9-tert-butyl-3H-cyclopenta[a]naphthalene?
The IUPAC name of 9-tert-butyl-3H-cyclopenta[a]naphthalene (CID 148527121) is 9-tert-butyl-3H-cyclopenta[a]naphthalene.
What is the SMILES notation for 9-tert-butyl-3H-cyclopenta[a]naphthalene?
The canonical SMILES for 9-tert-butyl-3H-cyclopenta[a]naphthalene is CC(C)(C)c1cccc2ccc3c(c12)C=CC3.
What is the InChIKey of 9-tert-butyl-3H-cyclopenta[a]naphthalene?
The InChIKey is MPOCJSJDCLWCPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18/c1-17(2,3)15-9-5-7-13-11-10-12-6-4-8-14(12)16(13)15/h4-5,7-11H,6H2,1-3H3.
What are the key properties of 9-tert-butyl-3H-cyclopenta[a]naphthalene?
9-tert-butyl-3H-cyclopenta[a]naphthalene has a molecular weight of 222.33 g/mol, XLogP of 4.71, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-tert-butyl-3H-cyclopenta[a]naphthalene is sourced from PubChem (CID 148527121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).