4-(2-methylundecan-2-ylsulfanylmethylidene)cyclohexene

C19H34S — CID 57089804

IUPAC4-(2-methylundecan-2-ylsulfanylmethylidene)cyclohexene
SMILESCCCCCCCCCC(C)(C)SC=C1CC=CCC1
InChIInChI=1S/C19H34S/c1-4-5-6-7-8-9-13-16-19(2,3)20-17-18-14-11-10-12-15-18/h10-11,17H,4-9,12-16H2,1-3H3
InChIKeyCVOYMDLYFNANCA-UHFFFAOYSA-N
MW294.55 g/mol
LogP7.26
Rot. Bonds10

About 4-(2-methylundecan-2-ylsulfanylmethylidene)cyclohexene

4-(2-methylundecan-2-ylsulfanylmethylidene)cyclohexene (PubChem CID 57089804) has the molecular formula C19H34S and a molecular weight of 294.55 g/mol. Its IUPAC name is 4-(2-methylundecan-2-ylsulfanylmethylidene)cyclohexene.

Molecular Properties

Compound Name4-(2-methylundecan-2-ylsulfanylmethylidene)cyclohexene
PubChem CID57089804
Molecular FormulaC19H34S
Molecular Weight294.55 g/mol
Exact Mass294.24
IUPAC Name4-(2-methylundecan-2-ylsulfanylmethylidene)cyclohexene
SMILESCCCCCCCCCC(C)(C)SC=C1CC=CCC1
InChIInChI=1S/C19H34S/c1-4-5-6-7-8-9-13-16-19(2,3)20-17-18-14-11-10-12-15-18/h10-11,17H,4-9,12-16H2,1-3H3
InChIKeyCVOYMDLYFNANCA-UHFFFAOYSA-N
XLogP7.26
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500294.55
LogP ≤ 57.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-2-methylsulfanyltetradecane
CID 91802493
1-methyl-4-(2-methyloctan-2-ylsulfanyl)benzene
CID 142403791
13-methylheptacosan-13-ol
CID 87343529
9-bromo-9-methylhenicosane
CID 155906452
10-methyltricosane-10-diazonium
CID 151580094
1-(7-methyltridecan-7-yl)-2,3-dihydropyrrol-5-amine
CID 170309499
11-methyl-11-nonylhenicosane
CID 19690388
13-methyl-13-octylhentriacontane
CID 173152457
16,16,21,21-tetramethylhexatriacontane
CID 174880889
2-(2-methylundecan-2-ylsulfanyl)ethanamine
CID 23451912
2,2-dimethylpropane;heptane
CID 144531055
3-(2-methyloctan-2-yl)cyclohexa-1,3-dien-1-ol
CID 173425396

Frequently Asked Questions

What is the IUPAC name of 4-(2-methylundecan-2-ylsulfanylmethylidene)cyclohexene?
The IUPAC name of 4-(2-methylundecan-2-ylsulfanylmethylidene)cyclohexene (CID 57089804) is 4-(2-methylundecan-2-ylsulfanylmethylidene)cyclohexene.
What is the SMILES notation for 4-(2-methylundecan-2-ylsulfanylmethylidene)cyclohexene?
The canonical SMILES for 4-(2-methylundecan-2-ylsulfanylmethylidene)cyclohexene is CCCCCCCCCC(C)(C)SC=C1CC=CCC1.
What is the InChIKey of 4-(2-methylundecan-2-ylsulfanylmethylidene)cyclohexene?
The InChIKey is CVOYMDLYFNANCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34S/c1-4-5-6-7-8-9-13-16-19(2,3)20-17-18-14-11-10-12-15-18/h10-11,17H,4-9,12-16H2,1-3H3.
What are the key properties of 4-(2-methylundecan-2-ylsulfanylmethylidene)cyclohexene?
4-(2-methylundecan-2-ylsulfanylmethylidene)cyclohexene has a molecular weight of 294.55 g/mol, XLogP of 7.26, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylundecan-2-ylsulfanylmethylidene)cyclohexene is sourced from PubChem (CID 57089804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).