2,6-di(propan-2-yl)-3H-cyclopenta[b]naphthalene

C19H22 — CID 58565980

IUPAC2,6-di(propan-2-yl)-3H-cyclopenta[b]naphthalene
SMILESCC(C)C1=Cc2cc3ccc(C(C)C)cc3cc2C1
InChIInChI=1S/C19H22/c1-12(2)14-5-6-15-8-18-9-16(13(3)4)10-19(18)11-17(15)7-14/h5-9,11-13H,10H2,1-4H3
InChIKeyGUTMHDGOKHQLIZ-UHFFFAOYSA-N
MW250.38 g/mol
LogP5.56
Rot. Bonds2

About 2,6-di(propan-2-yl)-3H-cyclopenta[b]naphthalene

2,6-di(propan-2-yl)-3H-cyclopenta[b]naphthalene (PubChem CID 58565980) has the molecular formula C19H22 and a molecular weight of 250.38 g/mol. Its IUPAC name is 2,6-di(propan-2-yl)-3H-cyclopenta[b]naphthalene.

Molecular Properties

Compound Name2,6-di(propan-2-yl)-3H-cyclopenta[b]naphthalene
PubChem CID58565980
Molecular FormulaC19H22
Molecular Weight250.38 g/mol
Exact Mass250.17
IUPAC Name2,6-di(propan-2-yl)-3H-cyclopenta[b]naphthalene
SMILESCC(C)C1=Cc2cc3ccc(C(C)C)cc3cc2C1
InChIInChI=1S/C19H22/c1-12(2)14-5-6-15-8-18-9-16(13(3)4)10-19(18)11-17(15)7-14/h5-9,11-13H,10H2,1-4H3
InChIKeyGUTMHDGOKHQLIZ-UHFFFAOYSA-N
XLogP5.56
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500250.38
LogP ≤ 55.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2,9-di(propan-2-yl)pentacene
CID 153380534
2,6-di(propan-2-yl)naphthalene;ethane
CID 142320223
2-propan-2-ylpentacene
CID 153380535
ethane;2-propan-2-ylnaphthalene
CID 142226111
2-propan-2-yl-6-(6-propan-2-ylnaphthalen-2-yl)naphthalene
CID 59610790
2-propan-2-yl-1H-indene-5-carbonitrile
CID 158604843
5-(2-methylpropyl)-2-propan-2-yl-1H-indene;zirconium
CID 174563296
6-propan-2-ylnaphthalene-2-carboximidamide
CID 138525860
2-propan-2-yl-1H-indene;toluene
CID 161490529
cumene;ethane;methane;2-propan-2-ylnaphthalene
CID 158431045
2-(2-propan-2-yl-3H-inden-4-yl)naphthalene
CID 91423371
2,5-di(propan-2-yl)-2,3-dihydro-1H-indene;2,5-di(propan-2-yl)-1H-indene;2,6-di(propan-2-yl)-1H-indene;2,6-di(propan-2-yl)indolizine;2,7-di(propan-2-yl)indolizine;ethane;methane
CID 157158345

Frequently Asked Questions

What is the IUPAC name of 2,6-di(propan-2-yl)-3H-cyclopenta[b]naphthalene?
The IUPAC name of 2,6-di(propan-2-yl)-3H-cyclopenta[b]naphthalene (CID 58565980) is 2,6-di(propan-2-yl)-3H-cyclopenta[b]naphthalene.
What is the SMILES notation for 2,6-di(propan-2-yl)-3H-cyclopenta[b]naphthalene?
The canonical SMILES for 2,6-di(propan-2-yl)-3H-cyclopenta[b]naphthalene is CC(C)C1=Cc2cc3ccc(C(C)C)cc3cc2C1.
What is the InChIKey of 2,6-di(propan-2-yl)-3H-cyclopenta[b]naphthalene?
The InChIKey is GUTMHDGOKHQLIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22/c1-12(2)14-5-6-15-8-18-9-16(13(3)4)10-19(18)11-17(15)7-14/h5-9,11-13H,10H2,1-4H3.
What are the key properties of 2,6-di(propan-2-yl)-3H-cyclopenta[b]naphthalene?
2,6-di(propan-2-yl)-3H-cyclopenta[b]naphthalene has a molecular weight of 250.38 g/mol, XLogP of 5.56, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-di(propan-2-yl)-3H-cyclopenta[b]naphthalene is sourced from PubChem (CID 58565980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).