potassium;[(4aR,6aR,6aR,6bR,8aR,11R,12S,12aS,14aS,14bR)-4,4,6a,6b,8a,11,12,14b-octamethyl-3-sulfanyl-2,3,4a,5,6,6a,7,8,9,10,11,12,12a,13,14,14a-hexadecahydro-1H-picen-1-yl] 2-methylprop-2-enoate;hydride

C34H57KO2S — CID 174872442

About potassium;[(4aR,6aR,6aR,6bR,8aR,11R,12S,12aS,14aS,14bR)-4,4,6a,6b,8a,11,12,14b-octamethyl-3-sulfanyl-2,3,4a,5,6,6a,7,8,9,10,11,12,12a,13,14,14a-hexadecahydro-1H-picen-1-yl] 2-methylprop-2-enoate;hydride

potassium;[(4aR,6aR,6aR,6bR,8aR,11R,12S,12aS,14aS,14bR)-4,4,6a,6b,8a,11,12,14b-octamethyl-3-sulfanyl-2,3,4a,5,6,6a,7,8,9,10,11,12,12a,13,14,14a-hexadecahydro-1H-picen-1-yl] 2-methylprop-2-enoate;hydride (PubChem CID 174872442) has the molecular formula C34H57KO2S and a molecular weight of 568.99 g/mol. Its IUPAC name is potassium;[(4aR,6aR,6aR,6bR,8aR,11R,12S,12aS,14aS,14bR)-4,4,6a,6b,8a,11,12,14b-octamethyl-3-sulfanyl-2,3,4a,5,6,6a,7,8,9,10,11,12,12a,13,14,14a-hexadecahydro-1H-picen-1-yl] 2-methylprop-2-enoate;hydride.

Molecular Properties

• Compound Name: potassium;[(4aR,6aR,6aR,6bR,8aR,11R,12S,12aS,14aS,14bR)-4,4,6a,6b,8a,11,12,14b-octamethyl-3-sulfanyl-2,3,4a,5,6,6a,7,8,9,10,11,12,12a,13,14,14a-hexadecahydro-1H-picen-1-yl] 2-methylprop-2-enoate;hydride
• PubChem CID: 174872442
• Molecular Formula: C34H57KO2S
• Molecular Weight: 568.99 g/mol
• Exact Mass: 568.37
• IUPAC Name: potassium;[(4aR,6aR,6aR,6bR,8aR,11R,12S,12aS,14aS,14bR)-4,4,6a,6b,8a,11,12,14b-octamethyl-3-sulfanyl-2,3,4a,5,6,6a,7,8,9,10,11,12,12a,13,14,14a-hexadecahydro-1H-picen-1-yl] 2-methylprop-2-enoate;hydride
• SMILES: C=C(C)C(=O)OC1CC(S)C(C)(C)[C@@H]2CC[C@]3(C)[C@H](CC[C@@H]4[C@@H]5[C@@H](C)[C@H](C)CC[C@]5(C)CC[C@]43C)[C@@]12C.[H-].[K+]
• InChI: InChI=1S/C34H56O2S.K.H/c1-20(2)29(35)36-26-19-27(37)30(5,6)24-14-16-33(9)25(34(24,26)10)12-11-23-28-22(4)21(3)13-15-31(28,7)17-18-32(23,33)8;;/h21-28,37H,1,11-19H2,2-10H3;;/q;+1;-1/t21-,22+,23-,24+,25+,26?,27?,28+,31-,32-,33-,34+;;/m1../s1
• InChIKey: CAWSEBJMLQPPIR-ADNJYJPLSA-N
• XLogP: 6.26
• TPSA: 26.30 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 2
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	568.99
LogP ≤ 5	6.26
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of potassium;[(4aR,6aR,6aR,6bR,8aR,11R,12S,12aS,14aS,14bR)-4,4,6a,6b,8a,11,12,14b-octamethyl-3-sulfanyl-2,3,4a,5,6,6a,7,8,9,10,11,12,12a,13,14,14a-hexadecahydro-1H-picen-1-yl] 2-methylprop-2-enoate;hydride?

The IUPAC name of potassium;[(4aR,6aR,6aR,6bR,8aR,11R,12S,12aS,14aS,14bR)-4,4,6a,6b,8a,11,12,14b-octamethyl-3-sulfanyl-2,3,4a,5,6,6a,7,8,9,10,11,12,12a,13,14,14a-hexadecahydro-1H-picen-1-yl] 2-methylprop-2-enoate;hydride (CID 174872442) is potassium;[(4aR,6aR,6aR,6bR,8aR,11R,12S,12aS,14aS,14bR)-4,4,6a,6b,8a,11,12,14b-octamethyl-3-sulfanyl-2,3,4a,5,6,6a,7,8,9,10,11,12,12a,13,14,14a-hexadecahydro-1H-picen-1-yl] 2-methylprop-2-enoate;hydride.

What is the SMILES notation for potassium;[(4aR,6aR,6aR,6bR,8aR,11R,12S,12aS,14aS,14bR)-4,4,6a,6b,8a,11,12,14b-octamethyl-3-sulfanyl-2,3,4a,5,6,6a,7,8,9,10,11,12,12a,13,14,14a-hexadecahydro-1H-picen-1-yl] 2-methylprop-2-enoate;hydride?

The canonical SMILES for potassium;[(4aR,6aR,6aR,6bR,8aR,11R,12S,12aS,14aS,14bR)-4,4,6a,6b,8a,11,12,14b-octamethyl-3-sulfanyl-2,3,4a,5,6,6a,7,8,9,10,11,12,12a,13,14,14a-hexadecahydro-1H-picen-1-yl] 2-methylprop-2-enoate;hydride is C=C(C)C(=O)OC1CC(S)C(C)(C)[C@@H]2CC[C@]3(C)[C@H](CC[C@@H]4[C@@H]5[C@@H](C)[C@H](C)CC[C@]5(C)CC[C@]43C)[C@@]12C.[H-].[K+].

What is the InChIKey of potassium;[(4aR,6aR,6aR,6bR,8aR,11R,12S,12aS,14aS,14bR)-4,4,6a,6b,8a,11,12,14b-octamethyl-3-sulfanyl-2,3,4a,5,6,6a,7,8,9,10,11,12,12a,13,14,14a-hexadecahydro-1H-picen-1-yl] 2-methylprop-2-enoate;hydride?

The InChIKey is CAWSEBJMLQPPIR-ADNJYJPLSA-N. The full InChI is InChI=1S/C34H56O2S.K.H/c1-20(2)29(35)36-26-19-27(37)30(5,6)24-14-16-33(9)25(34(24,26)10)12-11-23-28-22(4)21(3)13-15-31(28,7)17-18-32(23,33)8;;/h21-28,37H,1,11-19H2,2-10H3;;/q;+1;-1/t21-,22+,23-,24+,25+,26?,27?,28+,31-,32-,33-,34+;;/m1../s1.

What are the key properties of potassium;[(4aR,6aR,6aR,6bR,8aR,11R,12S,12aS,14aS,14bR)-4,4,6a,6b,8a,11,12,14b-octamethyl-3-sulfanyl-2,3,4a,5,6,6a,7,8,9,10,11,12,12a,13,14,14a-hexadecahydro-1H-picen-1-yl] 2-methylprop-2-enoate;hydride?

potassium;[(4aR,6aR,6aR,6bR,8aR,11R,12S,12aS,14aS,14bR)-4,4,6a,6b,8a,11,12,14b-octamethyl-3-sulfanyl-2,3,4a,5,6,6a,7,8,9,10,11,12,12a,13,14,14a-hexadecahydro-1H-picen-1-yl] 2-methylprop-2-enoate;hydride has a molecular weight of 568.99 g/mol, XLogP of 6.26, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for potassium;[(4aR,6aR,6aR,6bR,8aR,11R,12S,12aS,14aS,14bR)-4,4,6a,6b,8a,11,12,14b-octamethyl-3-sulfanyl-2,3,4a,5,6,6a,7,8,9,10,11,12,12a,13,14,14a-hexadecahydro-1H-picen-1-yl] 2-methylprop-2-enoate;hydride is sourced from PubChem (CID 174872442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).