carbon dioxide;1-[(2S)-1-[(1R,3R)-3-(4-ethylphenyl)cyclopentyl]propan-2-yl]naphthalene

C27H30O2 — CID 158857640

IUPACcarbon dioxide;1-[(2S)-1-[(1R,3R)-3-(4-ethylphenyl)cyclopentyl]propan-2-yl]naphthalene
SMILESCCc1ccc([C@@H]2CC[C@H](C[C@H](C)c3cccc4ccccc34)C2)cc1.O=C=O
InChIInChI=1S/C26H30.CO2/c1-3-20-11-14-22(15-12-20)24-16-13-21(18-24)17-19(2)25-10-6-8-23-7-4-5-9-26(23)25;2-1-3/h4-12,14-15,19,21,24H,3,13,16-18H2,1-2H3;/t19-,21+,24+;/m0./s1
InChIKeyJAGHZUVFVALDJH-KHVJDKKBSA-N
MW386.54 g/mol
LogP6.90
Rot. Bonds5

About carbon dioxide;1-[(2S)-1-[(1R,3R)-3-(4-ethylphenyl)cyclopentyl]propan-2-yl]naphthalene

carbon dioxide;1-[(2S)-1-[(1R,3R)-3-(4-ethylphenyl)cyclopentyl]propan-2-yl]naphthalene (PubChem CID 158857640) has the molecular formula C27H30O2 and a molecular weight of 386.54 g/mol. Its IUPAC name is carbon dioxide;1-[(2S)-1-[(1R,3R)-3-(4-ethylphenyl)cyclopentyl]propan-2-yl]naphthalene.

Molecular Properties

Compound Namecarbon dioxide;1-[(2S)-1-[(1R,3R)-3-(4-ethylphenyl)cyclopentyl]propan-2-yl]naphthalene
PubChem CID158857640
Molecular FormulaC27H30O2
Molecular Weight386.54 g/mol
Exact Mass386.22
IUPAC Namecarbon dioxide;1-[(2S)-1-[(1R,3R)-3-(4-ethylphenyl)cyclopentyl]propan-2-yl]naphthalene
SMILESCCc1ccc([C@@H]2CC[C@H](C[C@H](C)c3cccc4ccccc34)C2)cc1.O=C=O
InChIInChI=1S/C26H30.CO2/c1-3-20-11-14-22(15-12-20)24-16-13-21(18-24)17-19(2)25-10-6-8-23-7-4-5-9-26(23)25;2-1-3/h4-12,14-15,19,21,24H,3,13,16-18H2,1-2H3;/t19-,21+,24+;/m0./s1
InChIKeyJAGHZUVFVALDJH-KHVJDKKBSA-N
XLogP6.90
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.54
LogP ≤ 56.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-[4-[(1R,3R)-3-[(2S)-2-naphthalen-1-ylpropyl]cyclopentyl]phenyl]butan-2-one
CID 149010744
2-[3-[3-[(2S)-2-naphthalen-1-ylpropyl]cyclopentyl]phenyl]acetic acid
CID 147632875
2-methyl-2-[4-[3-[(2S)-2-naphthalen-1-ylpropyl]cyclopentyl]phenoxy]propanoic acid
CID 161070660
5-[[4-[3-[(2S)-2-naphthalen-1-ylpropyl]cyclopentyl]phenoxy]methyl]-2H-tetrazole
CID 148712553
2-[2-fluoro-4-[3-[(2S)-2-naphthalen-1-ylpropyl]cyclopentyl]phenoxy]acetic acid
CID 153234852
2-methyl-2-[3-[(1R,3R)-3-[(2S)-2-naphthalen-1-ylpropyl]cyclopentyl]phenoxy]propanoic acid
CID 157186963
bis(carbon dioxide);(3S)-1-(4-methylphenyl)-3-[(2S)-2-naphthalen-1-ylpropyl]pyrrolidine;(3S)-3-[(2S)-2-naphthalen-1-ylpropyl]-1-(4-propylphenyl)pyrrolidine;hydrochloride
CID 159846637
4-[(2S)-1-[(3R)-3-(4-methylsulfonylphenyl)cyclopentyl]propan-2-yl]quinoline
CID 157330811
1-[4-[(1R)-3-[(2S)-2-(4-methylnaphthalen-1-yl)propyl]cyclopentyl]phenoxy]propan-2-one
CID 158711749
5-[3-[(1R,3S)-3-[(2S)-2-naphthalen-1-ylpropyl]cyclohexyl]phenyl]-2H-tetrazole
CID 159923750
[(3S)-3-[(2S)-2-naphthalen-1-ylpropyl]pyrrolidin-1-yl]methyl formate
CID 149165816
3-[4-[3-(1-naphthalen-1-ylethylamino)cyclopentyl]phenyl]propanoic acid
CID 68783057

Frequently Asked Questions

What is the IUPAC name of carbon dioxide;1-[(2S)-1-[(1R,3R)-3-(4-ethylphenyl)cyclopentyl]propan-2-yl]naphthalene?
The IUPAC name of carbon dioxide;1-[(2S)-1-[(1R,3R)-3-(4-ethylphenyl)cyclopentyl]propan-2-yl]naphthalene (CID 158857640) is carbon dioxide;1-[(2S)-1-[(1R,3R)-3-(4-ethylphenyl)cyclopentyl]propan-2-yl]naphthalene.
What is the SMILES notation for carbon dioxide;1-[(2S)-1-[(1R,3R)-3-(4-ethylphenyl)cyclopentyl]propan-2-yl]naphthalene?
The canonical SMILES for carbon dioxide;1-[(2S)-1-[(1R,3R)-3-(4-ethylphenyl)cyclopentyl]propan-2-yl]naphthalene is CCc1ccc([C@@H]2CC[C@H](C[C@H](C)c3cccc4ccccc34)C2)cc1.O=C=O.
What is the InChIKey of carbon dioxide;1-[(2S)-1-[(1R,3R)-3-(4-ethylphenyl)cyclopentyl]propan-2-yl]naphthalene?
The InChIKey is JAGHZUVFVALDJH-KHVJDKKBSA-N. The full InChI is InChI=1S/C26H30.CO2/c1-3-20-11-14-22(15-12-20)24-16-13-21(18-24)17-19(2)25-10-6-8-23-7-4-5-9-26(23)25;2-1-3/h4-12,14-15,19,21,24H,3,13,16-18H2,1-2H3;/t19-,21+,24+;/m0./s1.
What are the key properties of carbon dioxide;1-[(2S)-1-[(1R,3R)-3-(4-ethylphenyl)cyclopentyl]propan-2-yl]naphthalene?
carbon dioxide;1-[(2S)-1-[(1R,3R)-3-(4-ethylphenyl)cyclopentyl]propan-2-yl]naphthalene has a molecular weight of 386.54 g/mol, XLogP of 6.90, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for carbon dioxide;1-[(2S)-1-[(1R,3R)-3-(4-ethylphenyl)cyclopentyl]propan-2-yl]naphthalene is sourced from PubChem (CID 158857640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).