2-propan-2-ylnaphthalene

C13H14 — CID 16238

IUPAC2-propan-2-ylnaphthalene
SMILESCC(C)c1ccc2ccccc2c1
InChIInChI=1S/C13H14/c1-10(2)12-8-7-11-5-3-4-6-13(11)9-12/h3-10H,1-2H3
InChIKeyTVYVQNHYIHAJTD-UHFFFAOYSA-N
MW170.25 g/mol
LogP3.96
Rot. Bonds1

About 2-propan-2-ylnaphthalene

2-propan-2-ylnaphthalene (PubChem CID 16238) has the molecular formula C13H14 and a molecular weight of 170.25 g/mol. Its IUPAC name is 2-propan-2-ylnaphthalene.

Molecular Properties

Compound Name2-propan-2-ylnaphthalene
PubChem CID16238
Molecular FormulaC13H14
Molecular Weight170.25 g/mol
Exact Mass170.11
IUPAC Name2-propan-2-ylnaphthalene
SMILESCC(C)c1ccc2ccccc2c1
InChIInChI=1S/C13H14/c1-10(2)12-8-7-11-5-3-4-6-13(11)9-12/h3-10H,1-2H3
InChIKeyTVYVQNHYIHAJTD-UHFFFAOYSA-N
XLogP3.96
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.25
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

Naphthalene
CID 931
Benzo[a]pyrene
CID 2336
Anthracene
CID 8418
Phenanthrene
CID 995
Pyrene
CID 31423
1-Methylnaphthalene
CID 7002
Tetralin
CID 8404
1,2,4-Trimethylbenzene
CID 7247
BENZ(a)ANTHRACENE
CID 5954
Benzo(E)Pyrene
CID 9128
Acenaphthylene
CID 9161
Chrysene
CID 9171

Frequently Asked Questions

What is the IUPAC name of 2-propan-2-ylnaphthalene?
The IUPAC name of 2-propan-2-ylnaphthalene (CID 16238) is 2-propan-2-ylnaphthalene.
What is the SMILES notation for 2-propan-2-ylnaphthalene?
The canonical SMILES for 2-propan-2-ylnaphthalene is CC(C)c1ccc2ccccc2c1.
What is the InChIKey of 2-propan-2-ylnaphthalene?
The InChIKey is TVYVQNHYIHAJTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14/c1-10(2)12-8-7-11-5-3-4-6-13(11)9-12/h3-10H,1-2H3.
What are the key properties of 2-propan-2-ylnaphthalene?
2-propan-2-ylnaphthalene has a molecular weight of 170.25 g/mol, XLogP of 3.96, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-ylnaphthalene is sourced from PubChem (CID 16238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).