carbon dioxide;(4S)-4-(5-ethoxy-2-pyridinyl)-1-(4-ethylphenyl)pentan-2-one;(4S)-4-(5-ethoxy-2-pyridinyl)-1-[4-(1-hydroxypropan-2-yl)phenyl]pentan-2-one;(4S)-4-(5-ethoxy-2-pyridinyl)-1-[4-(2-hydroxypropan-2-yl)phenyl]pentan-2-one;(4S)-4-(5-ethoxy-2-pyridinyl)-1-(4-propan-2-ylphenyl)pentan-2-one;(4S)-4-(5-ethoxy-2-pyridinyl)-1-(4-prop-1-en-2-ylphenyl)pentan-2-one

C105H131N5O14 — CID 163735311

IUPACcarbon dioxide;(4S)-4-(5-ethoxy-2-pyridinyl)-1-(4-ethylphenyl)pentan-2-one;(4S)-4-(5-ethoxy-2-pyridinyl)-1-[4-(1-hydroxypropan-2-yl)phenyl]pentan-2-one;(4S)-4-(5-ethoxy-2-pyridinyl)-1-[4-(2-hydroxypropan-2-yl)phenyl]pentan-2-one;(4S)-4-(5-ethoxy-2-pyridinyl)-1-(4-propan-2-ylphenyl)pentan-2-one;(4S)-4-(5-ethoxy-2-pyridinyl)-1-(4-prop-1-en-2-ylphenyl)pentan-2-one
SMILESC=C(C)c1ccc(CC(=O)C[C@H](C)c2ccc(OCC)cn2)cc1.CCOc1ccc([C@@H](C)CC(=O)Cc2ccc(C(C)(C)O)cc2)nc1.CCOc1ccc([C@@H](C)CC(=O)Cc2ccc(C(C)C)cc2)nc1.CCOc1ccc([C@@H](C)CC(=O)Cc2ccc(C(C)CO)cc2)nc1.CCOc1ccc([C@@H](C)CC(=O)Cc2ccc(CC)cc2)nc1.O=C=O
InChIInChI=1S/2C21H27NO3.C21H27NO2.C21H25NO2.C20H25NO2.CO2/c1-5-25-19-10-11-20(22-14-19)15(2)12-18(23)13-16-6-8-17(9-7-16)21(3,4)24;1-4-25-20-9-10-21(22-13-20)15(2)11-19(24)12-17-5-7-18(8-6-17)16(3)14-23;2*1-5-24-20-10-11-21(22-14-20)16(4)12-19(23)13-17-6-8-18(9-7-17)15(2)3;1-4-16-6-8-17(9-7-16)13-18(22)12-15(3)20-11-10-19(14-21-20)23-5-2;2-1-3/h6-11,14-15,24H,5,12-13H2,1-4H3;5-10,13,15-16,23H,4,11-12,14H2,1-3H3;6-11,14-16H,5,12-13H2,1-4H3;6-11,14,16H,2,5,12-13H2,1,3-4H3;6-11,14-15H,4-5,12-13H2,1-3H3;/t15-;15-,16?;2*16-;15-;/m00000./s1
InChIKeyLDBVXDPSCPSWIQ-YWQPRWHDSA-N
MW1687.22 g/mol
LogP21.39
Rot. Bonds41

About carbon dioxide;(4S)-4-(5-ethoxy-2-pyridinyl)-1-(4-ethylphenyl)pentan-2-one;(4S)-4-(5-ethoxy-2-pyridinyl)-1-[4-(1-hydroxypropan-2-yl)phenyl]pentan-2-one;(4S)-4-(5-ethoxy-2-pyridinyl)-1-[4-(2-hydroxypropan-2-yl)phenyl]pentan-2-one;(4S)-4-(5-ethoxy-2-pyridinyl)-1-(4-propan-2-ylphenyl)pentan-2-one;(4S)-4-(5-ethoxy-2-pyridinyl)-1-(4-prop-1-en-2-ylphenyl)pentan-2-one

carbon dioxide;(4S)-4-(5-ethoxy-2-pyridinyl)-1-(4-ethylphenyl)pentan-2-one;(4S)-4-(5-ethoxy-2-pyridinyl)-1-[4-(1-hydroxypropan-2-yl)phenyl]pentan-2-one;(4S)-4-(5-ethoxy-2-pyridinyl)-1-[4-(2-hydroxypropan-2-yl)phenyl]pentan-2-one;(4S)-4-(5-ethoxy-2-pyridinyl)-1-(4-propan-2-ylphenyl)pentan-2-one;(4S)-4-(5-ethoxy-2-pyridinyl)-1-(4-prop-1-en-2-ylphenyl)pentan-2-one (PubChem CID 163735311) has the molecular formula C105H131N5O14 and a molecular weight of 1687.22 g/mol. Its IUPAC name is carbon dioxide;(4S)-4-(5-ethoxy-2-pyridinyl)-1-(4-ethylphenyl)pentan-2-one;(4S)-4-(5-ethoxy-2-pyridinyl)-1-[4-(1-hydroxypropan-2-yl)phenyl]pentan-2-one;(4S)-4-(5-ethoxy-2-pyridinyl)-1-[4-(2-hydroxypropan-2-yl)phenyl]pentan-2-one;(4S)-4-(5-ethoxy-2-pyridinyl)-1-(4-propan-2-ylphenyl)pentan-2-one;(4S)-4-(5-ethoxy-2-pyridinyl)-1-(4-prop-1-en-2-ylphenyl)pentan-2-one.

Molecular Properties

Compound Namecarbon dioxide;(4S)-4-(5-ethoxy-2-pyridinyl)-1-(4-ethylphenyl)pentan-2-one;(4S)-4-(5-ethoxy-2-pyridinyl)-1-[4-(1-hydroxypropan-2-yl)phenyl]pentan-2-one;(4S)-4-(5-ethoxy-2-pyridinyl)-1-[4-(2-hydroxypropan-2-yl)phenyl]pentan-2-one;(4S)-4-(5-ethoxy-2-pyridinyl)-1-(4-propan-2-ylphenyl)pentan-2-one;(4S)-4-(5-ethoxy-2-pyridinyl)-1-(4-prop-1-en-2-ylphenyl)pentan-2-one
PubChem CID163735311
Molecular FormulaC105H131N5O14
Molecular Weight1687.22 g/mol
Exact Mass1685.97
IUPAC Namecarbon dioxide;(4S)-4-(5-ethoxy-2-pyridinyl)-1-(4-ethylphenyl)pentan-2-one;(4S)-4-(5-ethoxy-2-pyridinyl)-1-[4-(1-hydroxypropan-2-yl)phenyl]pentan-2-one;(4S)-4-(5-ethoxy-2-pyridinyl)-1-[4-(2-hydroxypropan-2-yl)phenyl]pentan-2-one;(4S)-4-(5-ethoxy-2-pyridinyl)-1-(4-propan-2-ylphenyl)pentan-2-one;(4S)-4-(5-ethoxy-2-pyridinyl)-1-(4-prop-1-en-2-ylphenyl)pentan-2-one
SMILESC=C(C)c1ccc(CC(=O)C[C@H](C)c2ccc(OCC)cn2)cc1.CCOc1ccc([C@@H](C)CC(=O)Cc2ccc(C(C)(C)O)cc2)nc1.CCOc1ccc([C@@H](C)CC(=O)Cc2ccc(C(C)C)cc2)nc1.CCOc1ccc([C@@H](C)CC(=O)Cc2ccc(C(C)CO)cc2)nc1.CCOc1ccc([C@@H](C)CC(=O)Cc2ccc(CC)cc2)nc1.O=C=O
InChIInChI=1S/2C21H27NO3.C21H27NO2.C21H25NO2.C20H25NO2.CO2/c1-5-25-19-10-11-20(22-14-19)15(2)12-18(23)13-16-6-8-17(9-7-16)21(3,4)24;1-4-25-20-9-10-21(22-13-20)15(2)11-19(24)12-17-5-7-18(8-6-17)16(3)14-23;2*1-5-24-20-10-11-21(22-14-20)16(4)12-19(23)13-17-6-8-18(9-7-17)15(2)3;1-4-16-6-8-17(9-7-16)13-18(22)12-15(3)20-11-10-19(14-21-20)23-5-2;2-1-3/h6-11,14-15,24H,5,12-13H2,1-4H3;5-10,13,15-16,23H,4,11-12,14H2,1-3H3;6-11,14-16H,5,12-13H2,1-4H3;6-11,14,16H,2,5,12-13H2,1,3-4H3;6-11,14-15H,4-5,12-13H2,1-3H3;/t15-;15-,16?;2*16-;15-;/m00000./s1
InChIKeyLDBVXDPSCPSWIQ-YWQPRWHDSA-N
XLogP21.39
TPSA270.55 Ų
H-Bond Donors2
H-Bond Acceptors19
Rotatable Bonds41
Heavy Atoms124
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001687.22
LogP ≤ 521.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1019

Analyze carbon dioxide;(4S)-4-(5-ethoxy-2-pyridinyl)-1-(4-ethylphenyl)pentan-2-one;(4S)-4-(5-ethoxy-2-pyridinyl)-1-[4-(1-hydroxypropan-2-yl)phenyl]pentan-2-one;(4S)-4-(5-ethoxy-2-pyridinyl)-1-[4-(2-hydroxypropan-2-yl)phenyl]pentan-2-one;(4S)-4-(5-ethoxy-2-pyridinyl)-1-(4-propan-2-ylphenyl)pentan-2-one;(4S)-4-(5-ethoxy-2-pyridinyl)-1-(4-prop-1-en-2-ylphenyl)pentan-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of carbon dioxide;(4S)-4-(5-ethoxy-2-pyridinyl)-1-(4-ethylphenyl)pentan-2-one;(4S)-4-(5-ethoxy-2-pyridinyl)-1-[4-(1-hydroxypropan-2-yl)phenyl]pentan-2-one;(4S)-4-(5-ethoxy-2-pyridinyl)-1-[4-(2-hydroxypropan-2-yl)phenyl]pentan-2-one;(4S)-4-(5-ethoxy-2-pyridinyl)-1-(4-propan-2-ylphenyl)pentan-2-one;(4S)-4-(5-ethoxy-2-pyridinyl)-1-(4-prop-1-en-2-ylphenyl)pentan-2-one?
The IUPAC name of carbon dioxide;(4S)-4-(5-ethoxy-2-pyridinyl)-1-(4-ethylphenyl)pentan-2-one;(4S)-4-(5-ethoxy-2-pyridinyl)-1-[4-(1-hydroxypropan-2-yl)phenyl]pentan-2-one;(4S)-4-(5-ethoxy-2-pyridinyl)-1-[4-(2-hydroxypropan-2-yl)phenyl]pentan-2-one;(4S)-4-(5-ethoxy-2-pyridinyl)-1-(4-propan-2-ylphenyl)pentan-2-one;(4S)-4-(5-ethoxy-2-pyridinyl)-1-(4-prop-1-en-2-ylphenyl)pentan-2-one (CID 163735311) is carbon dioxide;(4S)-4-(5-ethoxy-2-pyridinyl)-1-(4-ethylphenyl)pentan-2-one;(4S)-4-(5-ethoxy-2-pyridinyl)-1-[4-(1-hydroxypropan-2-yl)phenyl]pentan-2-one;(4S)-4-(5-ethoxy-2-pyridinyl)-1-[4-(2-hydroxypropan-2-yl)phenyl]pentan-2-one;(4S)-4-(5-ethoxy-2-pyridinyl)-1-(4-propan-2-ylphenyl)pentan-2-one;(4S)-4-(5-ethoxy-2-pyridinyl)-1-(4-prop-1-en-2-ylphenyl)pentan-2-one.
What is the SMILES notation for carbon dioxide;(4S)-4-(5-ethoxy-2-pyridinyl)-1-(4-ethylphenyl)pentan-2-one;(4S)-4-(5-ethoxy-2-pyridinyl)-1-[4-(1-hydroxypropan-2-yl)phenyl]pentan-2-one;(4S)-4-(5-ethoxy-2-pyridinyl)-1-[4-(2-hydroxypropan-2-yl)phenyl]pentan-2-one;(4S)-4-(5-ethoxy-2-pyridinyl)-1-(4-propan-2-ylphenyl)pentan-2-one;(4S)-4-(5-ethoxy-2-pyridinyl)-1-(4-prop-1-en-2-ylphenyl)pentan-2-one?
The canonical SMILES for carbon dioxide;(4S)-4-(5-ethoxy-2-pyridinyl)-1-(4-ethylphenyl)pentan-2-one;(4S)-4-(5-ethoxy-2-pyridinyl)-1-[4-(1-hydroxypropan-2-yl)phenyl]pentan-2-one;(4S)-4-(5-ethoxy-2-pyridinyl)-1-[4-(2-hydroxypropan-2-yl)phenyl]pentan-2-one;(4S)-4-(5-ethoxy-2-pyridinyl)-1-(4-propan-2-ylphenyl)pentan-2-one;(4S)-4-(5-ethoxy-2-pyridinyl)-1-(4-prop-1-en-2-ylphenyl)pentan-2-one is C=C(C)c1ccc(CC(=O)C[C@H](C)c2ccc(OCC)cn2)cc1.CCOc1ccc([C@@H](C)CC(=O)Cc2ccc(C(C)(C)O)cc2)nc1.CCOc1ccc([C@@H](C)CC(=O)Cc2ccc(C(C)C)cc2)nc1.CCOc1ccc([C@@H](C)CC(=O)Cc2ccc(C(C)CO)cc2)nc1.CCOc1ccc([C@@H](C)CC(=O)Cc2ccc(CC)cc2)nc1.O=C=O.
What is the InChIKey of carbon dioxide;(4S)-4-(5-ethoxy-2-pyridinyl)-1-(4-ethylphenyl)pentan-2-one;(4S)-4-(5-ethoxy-2-pyridinyl)-1-[4-(1-hydroxypropan-2-yl)phenyl]pentan-2-one;(4S)-4-(5-ethoxy-2-pyridinyl)-1-[4-(2-hydroxypropan-2-yl)phenyl]pentan-2-one;(4S)-4-(5-ethoxy-2-pyridinyl)-1-(4-propan-2-ylphenyl)pentan-2-one;(4S)-4-(5-ethoxy-2-pyridinyl)-1-(4-prop-1-en-2-ylphenyl)pentan-2-one?
The InChIKey is LDBVXDPSCPSWIQ-YWQPRWHDSA-N. The full InChI is InChI=1S/2C21H27NO3.C21H27NO2.C21H25NO2.C20H25NO2.CO2/c1-5-25-19-10-11-20(22-14-19)15(2)12-18(23)13-16-6-8-17(9-7-16)21(3,4)24;1-4-25-20-9-10-21(22-13-20)15(2)11-19(24)12-17-5-7-18(8-6-17)16(3)14-23;2*1-5-24-20-10-11-21(22-14-20)16(4)12-19(23)13-17-6-8-18(9-7-17)15(2)3;1-4-16-6-8-17(9-7-16)13-18(22)12-15(3)20-11-10-19(14-21-20)23-5-2;2-1-3/h6-11,14-15,24H,5,12-13H2,1-4H3;5-10,13,15-16,23H,4,11-12,14H2,1-3H3;6-11,14-16H,5,12-13H2,1-4H3;6-11,14,16H,2,5,12-13H2,1,3-4H3;6-11,14-15H,4-5,12-13H2,1-3H3;/t15-;15-,16?;2*16-;15-;/m00000./s1.
What are the key properties of carbon dioxide;(4S)-4-(5-ethoxy-2-pyridinyl)-1-(4-ethylphenyl)pentan-2-one;(4S)-4-(5-ethoxy-2-pyridinyl)-1-[4-(1-hydroxypropan-2-yl)phenyl]pentan-2-one;(4S)-4-(5-ethoxy-2-pyridinyl)-1-[4-(2-hydroxypropan-2-yl)phenyl]pentan-2-one;(4S)-4-(5-ethoxy-2-pyridinyl)-1-(4-propan-2-ylphenyl)pentan-2-one;(4S)-4-(5-ethoxy-2-pyridinyl)-1-(4-prop-1-en-2-ylphenyl)pentan-2-one?
carbon dioxide;(4S)-4-(5-ethoxy-2-pyridinyl)-1-(4-ethylphenyl)pentan-2-one;(4S)-4-(5-ethoxy-2-pyridinyl)-1-[4-(1-hydroxypropan-2-yl)phenyl]pentan-2-one;(4S)-4-(5-ethoxy-2-pyridinyl)-1-[4-(2-hydroxypropan-2-yl)phenyl]pentan-2-one;(4S)-4-(5-ethoxy-2-pyridinyl)-1-(4-propan-2-ylphenyl)pentan-2-one;(4S)-4-(5-ethoxy-2-pyridinyl)-1-(4-prop-1-en-2-ylphenyl)pentan-2-one has a molecular weight of 1687.22 g/mol, XLogP of 21.39, 41 rotatable bonds, 2 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for carbon dioxide;(4S)-4-(5-ethoxy-2-pyridinyl)-1-(4-ethylphenyl)pentan-2-one;(4S)-4-(5-ethoxy-2-pyridinyl)-1-[4-(1-hydroxypropan-2-yl)phenyl]pentan-2-one;(4S)-4-(5-ethoxy-2-pyridinyl)-1-[4-(2-hydroxypropan-2-yl)phenyl]pentan-2-one;(4S)-4-(5-ethoxy-2-pyridinyl)-1-(4-propan-2-ylphenyl)pentan-2-one;(4S)-4-(5-ethoxy-2-pyridinyl)-1-(4-prop-1-en-2-ylphenyl)pentan-2-one is sourced from PubChem (CID 163735311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).