5,6-didodecyl-4-methylidenecyclohexa-1,5-dien-1-ol

C31H56O — CID 21421426

IUPAC5,6-didodecyl-4-methylidenecyclohexa-1,5-dien-1-ol
SMILESC=C1CC=C(O)C(CCCCCCCCCCCC)=C1CCCCCCCCCCCC
InChIInChI=1S/C31H56O/c1-4-6-8-10-12-14-16-18-20-22-24-29-28(3)26-27-31(32)30(29)25-23-21-19-17-15-13-11-9-7-5-2/h27,32H,3-26H2,1-2H3
InChIKeyDBGAQUQKGOVCFO-UHFFFAOYSA-N
MW444.79 g/mol
LogP11.31
Rot. Bonds22

About 5,6-didodecyl-4-methylidenecyclohexa-1,5-dien-1-ol

5,6-didodecyl-4-methylidenecyclohexa-1,5-dien-1-ol (PubChem CID 21421426) has the molecular formula C31H56O and a molecular weight of 444.79 g/mol. Its IUPAC name is 5,6-didodecyl-4-methylidenecyclohexa-1,5-dien-1-ol.

Molecular Properties

Compound Name5,6-didodecyl-4-methylidenecyclohexa-1,5-dien-1-ol
PubChem CID21421426
Molecular FormulaC31H56O
Molecular Weight444.79 g/mol
Exact Mass444.43
IUPAC Name5,6-didodecyl-4-methylidenecyclohexa-1,5-dien-1-ol
SMILESC=C1CC=C(O)C(CCCCCCCCCCCC)=C1CCCCCCCCCCCC
InChIInChI=1S/C31H56O/c1-4-6-8-10-12-14-16-18-20-22-24-29-28(3)26-27-31(32)30(29)25-23-21-19-17-15-13-11-9-7-5-2/h27,32H,3-26H2,1-2H3
InChIKeyDBGAQUQKGOVCFO-UHFFFAOYSA-N
XLogP11.31
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds22
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.79
LogP ≤ 511.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 5,6-didodecyl-4-methylidenecyclohexa-1,5-dien-1-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 5,6-didodecyl-4-methylidenecyclohexa-1,5-dien-1-ol?
The IUPAC name of 5,6-didodecyl-4-methylidenecyclohexa-1,5-dien-1-ol (CID 21421426) is 5,6-didodecyl-4-methylidenecyclohexa-1,5-dien-1-ol.
What is the SMILES notation for 5,6-didodecyl-4-methylidenecyclohexa-1,5-dien-1-ol?
The canonical SMILES for 5,6-didodecyl-4-methylidenecyclohexa-1,5-dien-1-ol is C=C1CC=C(O)C(CCCCCCCCCCCC)=C1CCCCCCCCCCCC.
What is the InChIKey of 5,6-didodecyl-4-methylidenecyclohexa-1,5-dien-1-ol?
The InChIKey is DBGAQUQKGOVCFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H56O/c1-4-6-8-10-12-14-16-18-20-22-24-29-28(3)26-27-31(32)30(29)25-23-21-19-17-15-13-11-9-7-5-2/h27,32H,3-26H2,1-2H3.
What are the key properties of 5,6-didodecyl-4-methylidenecyclohexa-1,5-dien-1-ol?
5,6-didodecyl-4-methylidenecyclohexa-1,5-dien-1-ol has a molecular weight of 444.79 g/mol, XLogP of 11.31, 22 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-didodecyl-4-methylidenecyclohexa-1,5-dien-1-ol is sourced from PubChem (CID 21421426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).