1-tert-butyl-8-cyclopropylnaphthalene

C17H20 — CID 156665597

IUPAC1-tert-butyl-8-cyclopropylnaphthalene
SMILESCC(C)(C)c1cccc2cccc(C3CC3)c12
InChIInChI=1S/C17H20/c1-17(2,3)15-9-5-7-13-6-4-8-14(16(13)15)12-10-11-12/h4-9,12H,10-11H2,1-3H3
InChIKeyONWOZSQWPSYYHN-UHFFFAOYSA-N
MW224.35 g/mol
LogP5.01
Rot. Bonds1

About 1-tert-butyl-8-cyclopropylnaphthalene

1-tert-butyl-8-cyclopropylnaphthalene (PubChem CID 156665597) has the molecular formula C17H20 and a molecular weight of 224.35 g/mol. Its IUPAC name is 1-tert-butyl-8-cyclopropylnaphthalene.

Molecular Properties

Compound Name1-tert-butyl-8-cyclopropylnaphthalene
PubChem CID156665597
Molecular FormulaC17H20
Molecular Weight224.35 g/mol
Exact Mass224.16
IUPAC Name1-tert-butyl-8-cyclopropylnaphthalene
SMILESCC(C)(C)c1cccc2cccc(C3CC3)c12
InChIInChI=1S/C17H20/c1-17(2,3)15-9-5-7-13-6-4-8-14(16(13)15)12-10-11-12/h4-9,12H,10-11H2,1-3H3
InChIKeyONWOZSQWPSYYHN-UHFFFAOYSA-N
XLogP5.01
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500224.35
LogP ≤ 55.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2-tert-butyl-6-cyclopropylphenol
CID 139975684
(8-cyclopropylnaphthalen-1-yl)-trimethylstannane
CID 164534847
1-tert-butyl-8-(trifluoromethyl)naphthalene
CID 155794359
4,9-ditert-butylphenanthrene
CID 140702343
2-tert-butyl-6-[(2,6-dicyclohexylphenyl)iminomethyl]phenol
CID 137225880
9-tert-butyl-3H-cyclopenta[a]naphthalene
CID 148527121
8-tert-butyl-1-chloro-2-fluoronaphthalene
CID 155794339
tricyclo[6.2.2.02,7]dodeca-2,4,6-triene
CID 582301
1-cyclopropyl-2,3-bis(trifluoromethyl)benzene
CID 175858113
8-cyclopropylquinoline
CID 66823369
2-(4-tert-butylphenyl)-N-[2-(4-tert-butylphenyl)phenyl]-N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]aniline
CID 170289729
1-(4-tert-butylnaphthalen-2-yl)-7-(4,4-dimethylcyclohexyl)benzo[h]isoquinoline
CID 156667190

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-8-cyclopropylnaphthalene?
The IUPAC name of 1-tert-butyl-8-cyclopropylnaphthalene (CID 156665597) is 1-tert-butyl-8-cyclopropylnaphthalene.
What is the SMILES notation for 1-tert-butyl-8-cyclopropylnaphthalene?
The canonical SMILES for 1-tert-butyl-8-cyclopropylnaphthalene is CC(C)(C)c1cccc2cccc(C3CC3)c12.
What is the InChIKey of 1-tert-butyl-8-cyclopropylnaphthalene?
The InChIKey is ONWOZSQWPSYYHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20/c1-17(2,3)15-9-5-7-13-6-4-8-14(16(13)15)12-10-11-12/h4-9,12H,10-11H2,1-3H3.
What are the key properties of 1-tert-butyl-8-cyclopropylnaphthalene?
1-tert-butyl-8-cyclopropylnaphthalene has a molecular weight of 224.35 g/mol, XLogP of 5.01, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-8-cyclopropylnaphthalene is sourced from PubChem (CID 156665597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).