(6S,8aS)-2-[(5Z)-6,10-dimethylundeca-5,9-dien-2-yl]-5,5,8a-trimethyl-3,6,7,8-tetrahydro-1H-isoquinolin-6-ol

C25H43NO — CID 10833180

IUPAC(6S,8aS)-2-[(5Z)-6,10-dimethylundeca-5,9-dien-2-yl]-5,5,8a-trimethyl-3,6,7,8-tetrahydro-1H-isoquinolin-6-ol
SMILESCC(C)=CCC/C(C)=C\CCC(C)N1CC=C2C(C)(C)[C@@H](O)CC[C@]2(C)C1
InChIInChI=1S/C25H43NO/c1-19(2)10-8-11-20(3)12-9-13-21(4)26-17-15-22-24(5,6)23(27)14-16-25(22,7)18-26/h10,12,15,21,23,27H,8-9,11,13-14,16-18H2,1-7H3/b20-12-/t21?,23-,25+/m0/s1
InChIKeyCKIQSCJROIUFAT-HVIWRTQNSA-N
MW373.63 g/mol
LogP6.28
Rot. Bonds7

About (6S,8aS)-2-[(5Z)-6,10-dimethylundeca-5,9-dien-2-yl]-5,5,8a-trimethyl-3,6,7,8-tetrahydro-1H-isoquinolin-6-ol

(6S,8aS)-2-[(5Z)-6,10-dimethylundeca-5,9-dien-2-yl]-5,5,8a-trimethyl-3,6,7,8-tetrahydro-1H-isoquinolin-6-ol (PubChem CID 10833180) has the molecular formula C25H43NO and a molecular weight of 373.63 g/mol. Its IUPAC name is (6S,8aS)-2-[(5Z)-6,10-dimethylundeca-5,9-dien-2-yl]-5,5,8a-trimethyl-3,6,7,8-tetrahydro-1H-isoquinolin-6-ol.

Molecular Properties

Compound Name(6S,8aS)-2-[(5Z)-6,10-dimethylundeca-5,9-dien-2-yl]-5,5,8a-trimethyl-3,6,7,8-tetrahydro-1H-isoquinolin-6-ol
PubChem CID10833180
Molecular FormulaC25H43NO
Molecular Weight373.63 g/mol
Exact Mass373.33
IUPAC Name(6S,8aS)-2-[(5Z)-6,10-dimethylundeca-5,9-dien-2-yl]-5,5,8a-trimethyl-3,6,7,8-tetrahydro-1H-isoquinolin-6-ol
SMILESCC(C)=CCC/C(C)=C\CCC(C)N1CC=C2C(C)(C)[C@@H](O)CC[C@]2(C)C1
InChIInChI=1S/C25H43NO/c1-19(2)10-8-11-20(3)12-9-13-21(4)26-17-15-22-24(5,6)23(27)14-16-25(22,7)18-26/h10,12,15,21,23,27H,8-9,11,13-14,16-18H2,1-7H3/b20-12-/t21?,23-,25+/m0/s1
InChIKeyCKIQSCJROIUFAT-HVIWRTQNSA-N
XLogP6.28
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.63
LogP ≤ 56.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (6S,8aS)-2-[(5Z)-6,10-dimethylundeca-5,9-dien-2-yl]-5,5,8a-trimethyl-3,6,7,8-tetrahydro-1H-isoquinolin-6-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (6S,8aS)-2-[(5Z)-6,10-dimethylundeca-5,9-dien-2-yl]-5,5,8a-trimethyl-3,6,7,8-tetrahydro-1H-isoquinolin-6-ol?
The IUPAC name of (6S,8aS)-2-[(5Z)-6,10-dimethylundeca-5,9-dien-2-yl]-5,5,8a-trimethyl-3,6,7,8-tetrahydro-1H-isoquinolin-6-ol (CID 10833180) is (6S,8aS)-2-[(5Z)-6,10-dimethylundeca-5,9-dien-2-yl]-5,5,8a-trimethyl-3,6,7,8-tetrahydro-1H-isoquinolin-6-ol.
What is the SMILES notation for (6S,8aS)-2-[(5Z)-6,10-dimethylundeca-5,9-dien-2-yl]-5,5,8a-trimethyl-3,6,7,8-tetrahydro-1H-isoquinolin-6-ol?
The canonical SMILES for (6S,8aS)-2-[(5Z)-6,10-dimethylundeca-5,9-dien-2-yl]-5,5,8a-trimethyl-3,6,7,8-tetrahydro-1H-isoquinolin-6-ol is CC(C)=CCC/C(C)=C\CCC(C)N1CC=C2C(C)(C)[C@@H](O)CC[C@]2(C)C1.
What is the InChIKey of (6S,8aS)-2-[(5Z)-6,10-dimethylundeca-5,9-dien-2-yl]-5,5,8a-trimethyl-3,6,7,8-tetrahydro-1H-isoquinolin-6-ol?
The InChIKey is CKIQSCJROIUFAT-HVIWRTQNSA-N. The full InChI is InChI=1S/C25H43NO/c1-19(2)10-8-11-20(3)12-9-13-21(4)26-17-15-22-24(5,6)23(27)14-16-25(22,7)18-26/h10,12,15,21,23,27H,8-9,11,13-14,16-18H2,1-7H3/b20-12-/t21?,23-,25+/m0/s1.
What are the key properties of (6S,8aS)-2-[(5Z)-6,10-dimethylundeca-5,9-dien-2-yl]-5,5,8a-trimethyl-3,6,7,8-tetrahydro-1H-isoquinolin-6-ol?
(6S,8aS)-2-[(5Z)-6,10-dimethylundeca-5,9-dien-2-yl]-5,5,8a-trimethyl-3,6,7,8-tetrahydro-1H-isoquinolin-6-ol has a molecular weight of 373.63 g/mol, XLogP of 6.28, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6S,8aS)-2-[(5Z)-6,10-dimethylundeca-5,9-dien-2-yl]-5,5,8a-trimethyl-3,6,7,8-tetrahydro-1H-isoquinolin-6-ol is sourced from PubChem (CID 10833180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).