2-[(1S,2S)-4,4-dimethyl-2-naphthalen-2-ylcyclopentyl]naphthalene

C27H26 — CID 132563382

IUPAC2-[(1S,2S)-4,4-dimethyl-2-naphthalen-2-ylcyclopentyl]naphthalene
SMILESCC1(C)C[C@H](c2ccc3ccccc3c2)[C@@H](c2ccc3ccccc3c2)C1
InChIInChI=1S/C27H26/c1-27(2)17-25(23-13-11-19-7-3-5-9-21(19)15-23)26(18-27)24-14-12-20-8-4-6-10-22(20)16-24/h3-16,25-26H,17-18H2,1-2H3/t25-,26-/m1/s1
InChIKeyKWJVOULOITUTSZ-CLJLJLNGSA-N
MW350.51 g/mol
LogP7.68
Rot. Bonds2

About 2-[(1S,2S)-4,4-dimethyl-2-naphthalen-2-ylcyclopentyl]naphthalene

2-[(1S,2S)-4,4-dimethyl-2-naphthalen-2-ylcyclopentyl]naphthalene (PubChem CID 132563382) has the molecular formula C27H26 and a molecular weight of 350.51 g/mol. Its IUPAC name is 2-[(1S,2S)-4,4-dimethyl-2-naphthalen-2-ylcyclopentyl]naphthalene.

Molecular Properties

Compound Name2-[(1S,2S)-4,4-dimethyl-2-naphthalen-2-ylcyclopentyl]naphthalene
PubChem CID132563382
Molecular FormulaC27H26
Molecular Weight350.51 g/mol
Exact Mass350.20
IUPAC Name2-[(1S,2S)-4,4-dimethyl-2-naphthalen-2-ylcyclopentyl]naphthalene
SMILESCC1(C)C[C@H](c2ccc3ccccc3c2)[C@@H](c2ccc3ccccc3c2)C1
InChIInChI=1S/C27H26/c1-27(2)17-25(23-13-11-19-7-3-5-9-21(19)15-23)26(18-27)24-14-12-20-8-4-6-10-22(20)16-24/h3-16,25-26H,17-18H2,1-2H3/t25-,26-/m1/s1
InChIKeyKWJVOULOITUTSZ-CLJLJLNGSA-N
XLogP7.68
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.51
LogP ≤ 57.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

trans-(1R,2S)-2-naphthalen-2-ylcyclopropan-1-amine
CID 51888201
(4R)-1-(2,6-diethylphenyl)-2,2,5-trimethyl-4-naphthalen-2-ylpyrrolidine
CID 158907974
2-naphthalen-2-ylcyclopropane-1-carboxylic acid
CID 43810264
cis-(1S,2R)-2-naphthalen-2-ylcyclopropane-1-carboxylic acid
CID 51888066
trans-(1S,2S)-2-naphthalen-2-ylcyclopropane-1-carboxylic acid
CID 51888068
1-(5,5-dimethyl-2-naphthalen-2-ylcyclohexyl)prop-2-en-1-ol
CID 67672374
2-methyl-3-naphthalen-2-ylcyclopentan-1-amine
CID 64909840
cis-(1R,2R)-2-naphthalen-2-ylcyclohexan-1-ol
CID 68819847
2-naphthalen-2-ylcyclohexan-1-ol
CID 2793882
2-(2-bromocyclopentyl)naphthalene
CID 63512142
2-(2-chlorocyclopentyl)naphthalene
CID 63510786
2-(2-chlorocyclohexyl)naphthalene
CID 63511452

Frequently Asked Questions

What is the IUPAC name of 2-[(1S,2S)-4,4-dimethyl-2-naphthalen-2-ylcyclopentyl]naphthalene?
The IUPAC name of 2-[(1S,2S)-4,4-dimethyl-2-naphthalen-2-ylcyclopentyl]naphthalene (CID 132563382) is 2-[(1S,2S)-4,4-dimethyl-2-naphthalen-2-ylcyclopentyl]naphthalene.
What is the SMILES notation for 2-[(1S,2S)-4,4-dimethyl-2-naphthalen-2-ylcyclopentyl]naphthalene?
The canonical SMILES for 2-[(1S,2S)-4,4-dimethyl-2-naphthalen-2-ylcyclopentyl]naphthalene is CC1(C)C[C@H](c2ccc3ccccc3c2)[C@@H](c2ccc3ccccc3c2)C1.
What is the InChIKey of 2-[(1S,2S)-4,4-dimethyl-2-naphthalen-2-ylcyclopentyl]naphthalene?
The InChIKey is KWJVOULOITUTSZ-CLJLJLNGSA-N. The full InChI is InChI=1S/C27H26/c1-27(2)17-25(23-13-11-19-7-3-5-9-21(19)15-23)26(18-27)24-14-12-20-8-4-6-10-22(20)16-24/h3-16,25-26H,17-18H2,1-2H3/t25-,26-/m1/s1.
What are the key properties of 2-[(1S,2S)-4,4-dimethyl-2-naphthalen-2-ylcyclopentyl]naphthalene?
2-[(1S,2S)-4,4-dimethyl-2-naphthalen-2-ylcyclopentyl]naphthalene has a molecular weight of 350.51 g/mol, XLogP of 7.68, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S,2S)-4,4-dimethyl-2-naphthalen-2-ylcyclopentyl]naphthalene is sourced from PubChem (CID 132563382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).