1-methyl-4-[(4-methylcyclohexylidene)methylsulfanylmethylidene]cyclohexane

C16H26S — CID 134834912

IUPAC1-methyl-4-[(4-methylcyclohexylidene)methylsulfanylmethylidene]cyclohexane
SMILESCC1CCC(=CSC=C2CCC(C)CC2)CC1
InChIInChI=1S/C16H26S/c1-13-3-7-15(8-4-13)11-17-12-16-9-5-14(2)6-10-16/h11-14H,3-10H2,1-2H3/b15-11-,16-12-
InChIKeyYGWGUVGEDANZJM-NFLUSIDLSA-N
MW250.45 g/mol
LogP5.91
Rot. Bonds2

About 1-methyl-4-[(4-methylcyclohexylidene)methylsulfanylmethylidene]cyclohexane

1-methyl-4-[(4-methylcyclohexylidene)methylsulfanylmethylidene]cyclohexane (PubChem CID 134834912) has the molecular formula C16H26S and a molecular weight of 250.45 g/mol. Its IUPAC name is 1-methyl-4-[(4-methylcyclohexylidene)methylsulfanylmethylidene]cyclohexane.

Molecular Properties

Compound Name1-methyl-4-[(4-methylcyclohexylidene)methylsulfanylmethylidene]cyclohexane
PubChem CID134834912
Molecular FormulaC16H26S
Molecular Weight250.45 g/mol
Exact Mass250.18
IUPAC Name1-methyl-4-[(4-methylcyclohexylidene)methylsulfanylmethylidene]cyclohexane
SMILESCC1CCC(=CSC=C2CCC(C)CC2)CC1
InChIInChI=1S/C16H26S/c1-13-3-7-15(8-4-13)11-17-12-16-9-5-14(2)6-10-16/h11-14H,3-10H2,1-2H3/b15-11-,16-12-
InChIKeyYGWGUVGEDANZJM-NFLUSIDLSA-N
XLogP5.91
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500250.45
LogP ≤ 55.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[(4-methylcyclohexylidene)methylsulfanylmethylidene]cyclohexane?
The IUPAC name of 1-methyl-4-[(4-methylcyclohexylidene)methylsulfanylmethylidene]cyclohexane (CID 134834912) is 1-methyl-4-[(4-methylcyclohexylidene)methylsulfanylmethylidene]cyclohexane.
What is the SMILES notation for 1-methyl-4-[(4-methylcyclohexylidene)methylsulfanylmethylidene]cyclohexane?
The canonical SMILES for 1-methyl-4-[(4-methylcyclohexylidene)methylsulfanylmethylidene]cyclohexane is CC1CCC(=CSC=C2CCC(C)CC2)CC1.
What is the InChIKey of 1-methyl-4-[(4-methylcyclohexylidene)methylsulfanylmethylidene]cyclohexane?
The InChIKey is YGWGUVGEDANZJM-NFLUSIDLSA-N. The full InChI is InChI=1S/C16H26S/c1-13-3-7-15(8-4-13)11-17-12-16-9-5-14(2)6-10-16/h11-14H,3-10H2,1-2H3/b15-11-,16-12-.
What are the key properties of 1-methyl-4-[(4-methylcyclohexylidene)methylsulfanylmethylidene]cyclohexane?
1-methyl-4-[(4-methylcyclohexylidene)methylsulfanylmethylidene]cyclohexane has a molecular weight of 250.45 g/mol, XLogP of 5.91, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[(4-methylcyclohexylidene)methylsulfanylmethylidene]cyclohexane is sourced from PubChem (CID 134834912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).