(10Z,12E,14E,16E,18E)-11-hydroxy-19-(4-hydroxy-2,6,6-trimethylcyclohexen-1-yl)-4,8,13,17-tetramethylnonadeca-10,12,14,16,18-pentaen-2-one

C32H50O3 — CID 171118790

About (10Z,12E,14E,16E,18E)-11-hydroxy-19-(4-hydroxy-2,6,6-trimethylcyclohexen-1-yl)-4,8,13,17-tetramethylnonadeca-10,12,14,16,18-pentaen-2-one

(10Z,12E,14E,16E,18E)-11-hydroxy-19-(4-hydroxy-2,6,6-trimethylcyclohexen-1-yl)-4,8,13,17-tetramethylnonadeca-10,12,14,16,18-pentaen-2-one (PubChem CID 171118790) has the molecular formula C32H50O3 and a molecular weight of 482.75 g/mol. Its IUPAC name is (10Z,12E,14E,16E,18E)-11-hydroxy-19-(4-hydroxy-2,6,6-trimethylcyclohexen-1-yl)-4,8,13,17-tetramethylnonadeca-10,12,14,16,18-pentaen-2-one.

Molecular Properties

• Compound Name: (10Z,12E,14E,16E,18E)-11-hydroxy-19-(4-hydroxy-2,6,6-trimethylcyclohexen-1-yl)-4,8,13,17-tetramethylnonadeca-10,12,14,16,18-pentaen-2-one
• PubChem CID: 171118790
• Molecular Formula: C32H50O3
• Molecular Weight: 482.75 g/mol
• Exact Mass: 482.38
• IUPAC Name: (10Z,12E,14E,16E,18E)-11-hydroxy-19-(4-hydroxy-2,6,6-trimethylcyclohexen-1-yl)-4,8,13,17-tetramethylnonadeca-10,12,14,16,18-pentaen-2-one
• SMILES: CC(=O)CC(C)CCCC(C)C/C=C(O)/C=C(C)/C=C/C=C(C)/C=C/C1=C(C)CC(O)CC1(C)C
• InChI: InChI=1S/C32H50O3/c1-23(11-9-13-25(3)19-28(6)33)15-17-29(34)20-26(4)14-10-12-24(2)16-18-31-27(5)21-30(35)22-32(31,7)8/h10,12,14,16-18,20,23,25,30,34-35H,9,11,13,15,19,21-22H2,1-8H3/b14-10+,18-16+,24-12+,26-20+,29-17-
• InChIKey: LNIILLHDKYNMFR-AQGLYHNRSA-N
• XLogP: 8.74
• TPSA: 57.53 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 13
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	482.75
LogP ≤ 5	8.74
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (10Z,12E,14E,16E,18E)-11-hydroxy-19-(4-hydroxy-2,6,6-trimethylcyclohexen-1-yl)-4,8,13,17-tetramethylnonadeca-10,12,14,16,18-pentaen-2-one?

The IUPAC name of (10Z,12E,14E,16E,18E)-11-hydroxy-19-(4-hydroxy-2,6,6-trimethylcyclohexen-1-yl)-4,8,13,17-tetramethylnonadeca-10,12,14,16,18-pentaen-2-one (CID 171118790) is (10Z,12E,14E,16E,18E)-11-hydroxy-19-(4-hydroxy-2,6,6-trimethylcyclohexen-1-yl)-4,8,13,17-tetramethylnonadeca-10,12,14,16,18-pentaen-2-one.

What is the SMILES notation for (10Z,12E,14E,16E,18E)-11-hydroxy-19-(4-hydroxy-2,6,6-trimethylcyclohexen-1-yl)-4,8,13,17-tetramethylnonadeca-10,12,14,16,18-pentaen-2-one?

The canonical SMILES for (10Z,12E,14E,16E,18E)-11-hydroxy-19-(4-hydroxy-2,6,6-trimethylcyclohexen-1-yl)-4,8,13,17-tetramethylnonadeca-10,12,14,16,18-pentaen-2-one is CC(=O)CC(C)CCCC(C)C/C=C(O)/C=C(C)/C=C/C=C(C)/C=C/C1=C(C)CC(O)CC1(C)C.

What is the InChIKey of (10Z,12E,14E,16E,18E)-11-hydroxy-19-(4-hydroxy-2,6,6-trimethylcyclohexen-1-yl)-4,8,13,17-tetramethylnonadeca-10,12,14,16,18-pentaen-2-one?

The InChIKey is LNIILLHDKYNMFR-AQGLYHNRSA-N. The full InChI is InChI=1S/C32H50O3/c1-23(11-9-13-25(3)19-28(6)33)15-17-29(34)20-26(4)14-10-12-24(2)16-18-31-27(5)21-30(35)22-32(31,7)8/h10,12,14,16-18,20,23,25,30,34-35H,9,11,13,15,19,21-22H2,1-8H3/b14-10+,18-16+,24-12+,26-20+,29-17-.

What are the key properties of (10Z,12E,14E,16E,18E)-11-hydroxy-19-(4-hydroxy-2,6,6-trimethylcyclohexen-1-yl)-4,8,13,17-tetramethylnonadeca-10,12,14,16,18-pentaen-2-one?

(10Z,12E,14E,16E,18E)-11-hydroxy-19-(4-hydroxy-2,6,6-trimethylcyclohexen-1-yl)-4,8,13,17-tetramethylnonadeca-10,12,14,16,18-pentaen-2-one has a molecular weight of 482.75 g/mol, XLogP of 8.74, 13 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for (10Z,12E,14E,16E,18E)-11-hydroxy-19-(4-hydroxy-2,6,6-trimethylcyclohexen-1-yl)-4,8,13,17-tetramethylnonadeca-10,12,14,16,18-pentaen-2-one is sourced from PubChem (CID 171118790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).