2-ethenyl-1-[4-(1-hydroxy-2,2-dimethylbut-3-enyl)phenyl]-2,6-dimethylhept-5-en-1-ol

C23H34O2 — CID 11336827

IUPAC2-ethenyl-1-[4-(1-hydroxy-2,2-dimethylbut-3-enyl)phenyl]-2,6-dimethylhept-5-en-1-ol
SMILESC=CC(C)(C)C(O)c1ccc(C(O)C(C)(C=C)CCC=C(C)C)cc1
InChIInChI=1S/C23H34O2/c1-8-22(5,6)20(24)18-12-14-19(15-13-18)21(25)23(7,9-2)16-10-11-17(3)4/h8-9,11-15,20-21,24-25H,1-2,10,16H2,3-7H3
InChIKeyHDNQESCLKVYDHN-UHFFFAOYSA-N
MW342.52 g/mol
LogP5.90
Rot. Bonds9

About 2-ethenyl-1-[4-(1-hydroxy-2,2-dimethylbut-3-enyl)phenyl]-2,6-dimethylhept-5-en-1-ol

2-ethenyl-1-[4-(1-hydroxy-2,2-dimethylbut-3-enyl)phenyl]-2,6-dimethylhept-5-en-1-ol (PubChem CID 11336827) has the molecular formula C23H34O2 and a molecular weight of 342.52 g/mol. Its IUPAC name is 2-ethenyl-1-[4-(1-hydroxy-2,2-dimethylbut-3-enyl)phenyl]-2,6-dimethylhept-5-en-1-ol.

Molecular Properties

Compound Name2-ethenyl-1-[4-(1-hydroxy-2,2-dimethylbut-3-enyl)phenyl]-2,6-dimethylhept-5-en-1-ol
PubChem CID11336827
Molecular FormulaC23H34O2
Molecular Weight342.52 g/mol
Exact Mass342.26
IUPAC Name2-ethenyl-1-[4-(1-hydroxy-2,2-dimethylbut-3-enyl)phenyl]-2,6-dimethylhept-5-en-1-ol
SMILESC=CC(C)(C)C(O)c1ccc(C(O)C(C)(C=C)CCC=C(C)C)cc1
InChIInChI=1S/C23H34O2/c1-8-22(5,6)20(24)18-12-14-19(15-13-18)21(25)23(7,9-2)16-10-11-17(3)4/h8-9,11-15,20-21,24-25H,1-2,10,16H2,3-7H3
InChIKeyHDNQESCLKVYDHN-UHFFFAOYSA-N
XLogP5.90
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.52
LogP ≤ 55.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-ethenyl-1-[4-(1-hydroxy-2,2-dimethylbut-3-enyl)phenyl]-2,6-dimethylhept-5-en-1-ol?
The IUPAC name of 2-ethenyl-1-[4-(1-hydroxy-2,2-dimethylbut-3-enyl)phenyl]-2,6-dimethylhept-5-en-1-ol (CID 11336827) is 2-ethenyl-1-[4-(1-hydroxy-2,2-dimethylbut-3-enyl)phenyl]-2,6-dimethylhept-5-en-1-ol.
What is the SMILES notation for 2-ethenyl-1-[4-(1-hydroxy-2,2-dimethylbut-3-enyl)phenyl]-2,6-dimethylhept-5-en-1-ol?
The canonical SMILES for 2-ethenyl-1-[4-(1-hydroxy-2,2-dimethylbut-3-enyl)phenyl]-2,6-dimethylhept-5-en-1-ol is C=CC(C)(C)C(O)c1ccc(C(O)C(C)(C=C)CCC=C(C)C)cc1.
What is the InChIKey of 2-ethenyl-1-[4-(1-hydroxy-2,2-dimethylbut-3-enyl)phenyl]-2,6-dimethylhept-5-en-1-ol?
The InChIKey is HDNQESCLKVYDHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34O2/c1-8-22(5,6)20(24)18-12-14-19(15-13-18)21(25)23(7,9-2)16-10-11-17(3)4/h8-9,11-15,20-21,24-25H,1-2,10,16H2,3-7H3.
What are the key properties of 2-ethenyl-1-[4-(1-hydroxy-2,2-dimethylbut-3-enyl)phenyl]-2,6-dimethylhept-5-en-1-ol?
2-ethenyl-1-[4-(1-hydroxy-2,2-dimethylbut-3-enyl)phenyl]-2,6-dimethylhept-5-en-1-ol has a molecular weight of 342.52 g/mol, XLogP of 5.90, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenyl-1-[4-(1-hydroxy-2,2-dimethylbut-3-enyl)phenyl]-2,6-dimethylhept-5-en-1-ol is sourced from PubChem (CID 11336827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).