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

C16H26OS — CID 141287824

IUPAC2-methyl-6-(octylsulfanylmethylidene)cyclohexa-2,4-dien-1-ol
SMILESCCCCCCCCSC=C1C=CC=C(C)C1O
InChIInChI=1S/C16H26OS/c1-3-4-5-6-7-8-12-18-13-15-11-9-10-14(2)16(15)17/h9-11,13,16-17H,3-8,12H2,1-2H3
InChIKeyOLDILMVUCXTEAO-UHFFFAOYSA-N
MW266.45 g/mol
LogP4.84
Rot. Bonds8

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

2-methyl-6-(octylsulfanylmethylidene)cyclohexa-2,4-dien-1-ol (PubChem CID 141287824) has the molecular formula C16H26OS and a molecular weight of 266.45 g/mol. Its IUPAC name is 2-methyl-6-(octylsulfanylmethylidene)cyclohexa-2,4-dien-1-ol.

Molecular Properties

Compound Name2-methyl-6-(octylsulfanylmethylidene)cyclohexa-2,4-dien-1-ol
PubChem CID141287824
Molecular FormulaC16H26OS
Molecular Weight266.45 g/mol
Exact Mass266.17
IUPAC Name2-methyl-6-(octylsulfanylmethylidene)cyclohexa-2,4-dien-1-ol
SMILESCCCCCCCCSC=C1C=CC=C(C)C1O
InChIInChI=1S/C16H26OS/c1-3-4-5-6-7-8-12-18-13-15-11-9-10-14(2)16(15)17/h9-11,13,16-17H,3-8,12H2,1-2H3
InChIKeyOLDILMVUCXTEAO-UHFFFAOYSA-N
XLogP4.84
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
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'}

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-(octylsulfanylmethylidene)cyclohexa-2,4-dien-1-ol?
The IUPAC name of 2-methyl-6-(octylsulfanylmethylidene)cyclohexa-2,4-dien-1-ol (CID 141287824) is 2-methyl-6-(octylsulfanylmethylidene)cyclohexa-2,4-dien-1-ol.
What is the SMILES notation for 2-methyl-6-(octylsulfanylmethylidene)cyclohexa-2,4-dien-1-ol?
The canonical SMILES for 2-methyl-6-(octylsulfanylmethylidene)cyclohexa-2,4-dien-1-ol is CCCCCCCCSC=C1C=CC=C(C)C1O.
What is the InChIKey of 2-methyl-6-(octylsulfanylmethylidene)cyclohexa-2,4-dien-1-ol?
The InChIKey is OLDILMVUCXTEAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26OS/c1-3-4-5-6-7-8-12-18-13-15-11-9-10-14(2)16(15)17/h9-11,13,16-17H,3-8,12H2,1-2H3.
What are the key properties of 2-methyl-6-(octylsulfanylmethylidene)cyclohexa-2,4-dien-1-ol?
2-methyl-6-(octylsulfanylmethylidene)cyclohexa-2,4-dien-1-ol has a molecular weight of 266.45 g/mol, XLogP of 4.84, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-(octylsulfanylmethylidene)cyclohexa-2,4-dien-1-ol is sourced from PubChem (CID 141287824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).