2-methyl-6-(octan-2-ylsulfanylmethylidene)cyclohexa-2,4-dien-1-ol

C16H26OS — CID 175018694

IUPAC2-methyl-6-(octan-2-ylsulfanylmethylidene)cyclohexa-2,4-dien-1-ol
SMILESCCCCCCC(C)SC=C1C=CC=C(C)C1O
InChIInChI=1S/C16H26OS/c1-4-5-6-7-10-14(3)18-12-15-11-8-9-13(2)16(15)17/h8-9,11-12,14,16-17H,4-7,10H2,1-3H3
InChIKeyBFBCNDZXPGYCBF-UHFFFAOYSA-N
MW266.45 g/mol
LogP4.84
Rot. Bonds7

About 2-methyl-6-(octan-2-ylsulfanylmethylidene)cyclohexa-2,4-dien-1-ol

2-methyl-6-(octan-2-ylsulfanylmethylidene)cyclohexa-2,4-dien-1-ol (PubChem CID 175018694) has the molecular formula C16H26OS and a molecular weight of 266.45 g/mol. Its IUPAC name is 2-methyl-6-(octan-2-ylsulfanylmethylidene)cyclohexa-2,4-dien-1-ol.

Molecular Properties

Compound Name2-methyl-6-(octan-2-ylsulfanylmethylidene)cyclohexa-2,4-dien-1-ol
PubChem CID175018694
Molecular FormulaC16H26OS
Molecular Weight266.45 g/mol
Exact Mass266.17
IUPAC Name2-methyl-6-(octan-2-ylsulfanylmethylidene)cyclohexa-2,4-dien-1-ol
SMILESCCCCCCC(C)SC=C1C=CC=C(C)C1O
InChIInChI=1S/C16H26OS/c1-4-5-6-7-10-14(3)18-12-15-11-8-9-13(2)16(15)17/h8-9,11-12,14,16-17H,4-7,10H2,1-3H3
InChIKeyBFBCNDZXPGYCBF-UHFFFAOYSA-N
XLogP4.84
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.45
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-methyl-6-(octan-2-ylsulfanylmethylidene)cyclohexa-2,4-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 2-methyl-6-(octan-2-ylsulfanylmethylidene)cyclohexa-2,4-dien-1-ol?
The IUPAC name of 2-methyl-6-(octan-2-ylsulfanylmethylidene)cyclohexa-2,4-dien-1-ol (CID 175018694) is 2-methyl-6-(octan-2-ylsulfanylmethylidene)cyclohexa-2,4-dien-1-ol.
What is the SMILES notation for 2-methyl-6-(octan-2-ylsulfanylmethylidene)cyclohexa-2,4-dien-1-ol?
The canonical SMILES for 2-methyl-6-(octan-2-ylsulfanylmethylidene)cyclohexa-2,4-dien-1-ol is CCCCCCC(C)SC=C1C=CC=C(C)C1O.
What is the InChIKey of 2-methyl-6-(octan-2-ylsulfanylmethylidene)cyclohexa-2,4-dien-1-ol?
The InChIKey is BFBCNDZXPGYCBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26OS/c1-4-5-6-7-10-14(3)18-12-15-11-8-9-13(2)16(15)17/h8-9,11-12,14,16-17H,4-7,10H2,1-3H3.
What are the key properties of 2-methyl-6-(octan-2-ylsulfanylmethylidene)cyclohexa-2,4-dien-1-ol?
2-methyl-6-(octan-2-ylsulfanylmethylidene)cyclohexa-2,4-dien-1-ol has a molecular weight of 266.45 g/mol, XLogP of 4.84, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-(octan-2-ylsulfanylmethylidene)cyclohexa-2,4-dien-1-ol is sourced from PubChem (CID 175018694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).