4-hydroxy-3,6-dimethoxy-2-undec-10-enylcyclohexa-2,5-dien-1-one

C19H30O4 — CID 123481107

IUPAC4-hydroxy-3,6-dimethoxy-2-undec-10-enylcyclohexa-2,5-dien-1-one
SMILESC=CCCCCCCCCCC1=C(OC)C(O)C=C(OC)C1=O
InChIInChI=1S/C19H30O4/c1-4-5-6-7-8-9-10-11-12-13-15-18(21)17(22-2)14-16(20)19(15)23-3/h4,14,16,20H,1,5-13H2,2-3H3
InChIKeyMKUWRJBLQIPBQF-UHFFFAOYSA-N
MW322.45 g/mol
LogP4.06
Rot. Bonds12

About 4-hydroxy-3,6-dimethoxy-2-undec-10-enylcyclohexa-2,5-dien-1-one

4-hydroxy-3,6-dimethoxy-2-undec-10-enylcyclohexa-2,5-dien-1-one (PubChem CID 123481107) has the molecular formula C19H30O4 and a molecular weight of 322.45 g/mol. Its IUPAC name is 4-hydroxy-3,6-dimethoxy-2-undec-10-enylcyclohexa-2,5-dien-1-one.

Molecular Properties

Compound Name4-hydroxy-3,6-dimethoxy-2-undec-10-enylcyclohexa-2,5-dien-1-one
PubChem CID123481107
Molecular FormulaC19H30O4
Molecular Weight322.45 g/mol
Exact Mass322.21
IUPAC Name4-hydroxy-3,6-dimethoxy-2-undec-10-enylcyclohexa-2,5-dien-1-one
SMILESC=CCCCCCCCCCC1=C(OC)C(O)C=C(OC)C1=O
InChIInChI=1S/C19H30O4/c1-4-5-6-7-8-9-10-11-12-13-15-18(21)17(22-2)14-16(20)19(15)23-3/h4,14,16,20H,1,5-13H2,2-3H3
InChIKeyMKUWRJBLQIPBQF-UHFFFAOYSA-N
XLogP4.06
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.45
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-hydroxy-3,6-dimethoxy-2-undec-10-enylcyclohexa-2,5-dien-1-one 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 4-hydroxy-3,6-dimethoxy-2-undec-10-enylcyclohexa-2,5-dien-1-one?
The IUPAC name of 4-hydroxy-3,6-dimethoxy-2-undec-10-enylcyclohexa-2,5-dien-1-one (CID 123481107) is 4-hydroxy-3,6-dimethoxy-2-undec-10-enylcyclohexa-2,5-dien-1-one.
What is the SMILES notation for 4-hydroxy-3,6-dimethoxy-2-undec-10-enylcyclohexa-2,5-dien-1-one?
The canonical SMILES for 4-hydroxy-3,6-dimethoxy-2-undec-10-enylcyclohexa-2,5-dien-1-one is C=CCCCCCCCCCC1=C(OC)C(O)C=C(OC)C1=O.
What is the InChIKey of 4-hydroxy-3,6-dimethoxy-2-undec-10-enylcyclohexa-2,5-dien-1-one?
The InChIKey is MKUWRJBLQIPBQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30O4/c1-4-5-6-7-8-9-10-11-12-13-15-18(21)17(22-2)14-16(20)19(15)23-3/h4,14,16,20H,1,5-13H2,2-3H3.
What are the key properties of 4-hydroxy-3,6-dimethoxy-2-undec-10-enylcyclohexa-2,5-dien-1-one?
4-hydroxy-3,6-dimethoxy-2-undec-10-enylcyclohexa-2,5-dien-1-one has a molecular weight of 322.45 g/mol, XLogP of 4.06, 12 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-3,6-dimethoxy-2-undec-10-enylcyclohexa-2,5-dien-1-one is sourced from PubChem (CID 123481107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).