7-tert-butyl-1,2-dihydronaphthalene

C14H18 — CID 58093565

IUPAC7-tert-butyl-1,2-dihydronaphthalene
SMILESCC(C)(C)c1ccc2c(c1)CCC=C2
InChIInChI=1S/C14H18/c1-14(2,3)13-9-8-11-6-4-5-7-12(11)10-13/h4,6,8-10H,5,7H2,1-3H3
InChIKeyGHBICZLXKUASIG-UHFFFAOYSA-N
MW186.30 g/mol
LogP3.94
Rot. Bonds

About 7-tert-butyl-1,2-dihydronaphthalene

7-tert-butyl-1,2-dihydronaphthalene (PubChem CID 58093565) has the molecular formula C14H18 and a molecular weight of 186.30 g/mol. Its IUPAC name is 7-tert-butyl-1,2-dihydronaphthalene.

Molecular Properties

Compound Name7-tert-butyl-1,2-dihydronaphthalene
PubChem CID58093565
Molecular FormulaC14H18
Molecular Weight186.30 g/mol
Exact Mass186.14
IUPAC Name7-tert-butyl-1,2-dihydronaphthalene
SMILESCC(C)(C)c1ccc2c(c1)CCC=C2
InChIInChI=1S/C14H18/c1-14(2,3)13-9-8-11-6-4-5-7-12(11)10-13/h4,6,8-10H,5,7H2,1-3H3
InChIKeyGHBICZLXKUASIG-UHFFFAOYSA-N
XLogP3.94
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.30
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 7-tert-butyl-1,2-dihydronaphthalene?
The IUPAC name of 7-tert-butyl-1,2-dihydronaphthalene (CID 58093565) is 7-tert-butyl-1,2-dihydronaphthalene.
What is the SMILES notation for 7-tert-butyl-1,2-dihydronaphthalene?
The canonical SMILES for 7-tert-butyl-1,2-dihydronaphthalene is CC(C)(C)c1ccc2c(c1)CCC=C2.
What is the InChIKey of 7-tert-butyl-1,2-dihydronaphthalene?
The InChIKey is GHBICZLXKUASIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18/c1-14(2,3)13-9-8-11-6-4-5-7-12(11)10-13/h4,6,8-10H,5,7H2,1-3H3.
What are the key properties of 7-tert-butyl-1,2-dihydronaphthalene?
7-tert-butyl-1,2-dihydronaphthalene has a molecular weight of 186.30 g/mol, XLogP of 3.94, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 7-tert-butyl-1,2-dihydronaphthalene is sourced from PubChem (CID 58093565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).