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

C15H24OS — CID 150618855

IUPAC6-(octylsulfanylmethylidene)cyclohexa-2,4-dien-1-ol
SMILESCCCCCCCCSC=C1C=CC=CC1O
InChIInChI=1S/C15H24OS/c1-2-3-4-5-6-9-12-17-13-14-10-7-8-11-15(14)16/h7-8,10-11,13,15-16H,2-6,9,12H2,1H3
InChIKeyIVLVLEBENDZMIZ-UHFFFAOYSA-N
MW252.42 g/mol
LogP4.45
Rot. Bonds8

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

6-(octylsulfanylmethylidene)cyclohexa-2,4-dien-1-ol (PubChem CID 150618855) has the molecular formula C15H24OS and a molecular weight of 252.42 g/mol. Its IUPAC name is 6-(octylsulfanylmethylidene)cyclohexa-2,4-dien-1-ol.

Molecular Properties

Compound Name6-(octylsulfanylmethylidene)cyclohexa-2,4-dien-1-ol
PubChem CID150618855
Molecular FormulaC15H24OS
Molecular Weight252.42 g/mol
Exact Mass252.15
IUPAC Name6-(octylsulfanylmethylidene)cyclohexa-2,4-dien-1-ol
SMILESCCCCCCCCSC=C1C=CC=CC1O
InChIInChI=1S/C15H24OS/c1-2-3-4-5-6-9-12-17-13-14-10-7-8-11-15(14)16/h7-8,10-11,13,15-16H,2-6,9,12H2,1H3
InChIKeyIVLVLEBENDZMIZ-UHFFFAOYSA-N
XLogP4.45
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.42
LogP ≤ 54.45
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 6-(octylsulfanylmethylidene)cyclohexa-2,4-dien-1-ol?
The IUPAC name of 6-(octylsulfanylmethylidene)cyclohexa-2,4-dien-1-ol (CID 150618855) is 6-(octylsulfanylmethylidene)cyclohexa-2,4-dien-1-ol.
What is the SMILES notation for 6-(octylsulfanylmethylidene)cyclohexa-2,4-dien-1-ol?
The canonical SMILES for 6-(octylsulfanylmethylidene)cyclohexa-2,4-dien-1-ol is CCCCCCCCSC=C1C=CC=CC1O.
What is the InChIKey of 6-(octylsulfanylmethylidene)cyclohexa-2,4-dien-1-ol?
The InChIKey is IVLVLEBENDZMIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24OS/c1-2-3-4-5-6-9-12-17-13-14-10-7-8-11-15(14)16/h7-8,10-11,13,15-16H,2-6,9,12H2,1H3.
What are the key properties of 6-(octylsulfanylmethylidene)cyclohexa-2,4-dien-1-ol?
6-(octylsulfanylmethylidene)cyclohexa-2,4-dien-1-ol has a molecular weight of 252.42 g/mol, XLogP of 4.45, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(octylsulfanylmethylidene)cyclohexa-2,4-dien-1-ol is sourced from PubChem (CID 150618855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).