2-methylidene-3-(5-methyl-2-methylidene-3-propan-2-ylhexylidene)thiolane

C16H26S — CID 123217404

IUPAC2-methylidene-3-(5-methyl-2-methylidene-3-propan-2-ylhexylidene)thiolane
SMILESC=C1SCCC1=CC(=C)C(CC(C)C)C(C)C
InChIInChI=1S/C16H26S/c1-11(2)9-16(12(3)4)13(5)10-15-7-8-17-14(15)6/h10-12,16H,5-9H2,1-4H3
InChIKeyUJXIFEQYRDFANA-UHFFFAOYSA-N
MW250.45 g/mol
LogP5.44
Rot. Bonds5

About 2-methylidene-3-(5-methyl-2-methylidene-3-propan-2-ylhexylidene)thiolane

2-methylidene-3-(5-methyl-2-methylidene-3-propan-2-ylhexylidene)thiolane (PubChem CID 123217404) has the molecular formula C16H26S and a molecular weight of 250.45 g/mol. Its IUPAC name is 2-methylidene-3-(5-methyl-2-methylidene-3-propan-2-ylhexylidene)thiolane.

Molecular Properties

Compound Name2-methylidene-3-(5-methyl-2-methylidene-3-propan-2-ylhexylidene)thiolane
PubChem CID123217404
Molecular FormulaC16H26S
Molecular Weight250.45 g/mol
Exact Mass250.18
IUPAC Name2-methylidene-3-(5-methyl-2-methylidene-3-propan-2-ylhexylidene)thiolane
SMILESC=C1SCCC1=CC(=C)C(CC(C)C)C(C)C
InChIInChI=1S/C16H26S/c1-11(2)9-16(12(3)4)13(5)10-15-7-8-17-14(15)6/h10-12,16H,5-9H2,1-4H3
InChIKeyUJXIFEQYRDFANA-UHFFFAOYSA-N
XLogP5.44
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500250.45
LogP ≤ 55.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-methylidene-3-(5-methyl-2-methylidene-3-propan-2-ylhexylidene)thiolane?
The IUPAC name of 2-methylidene-3-(5-methyl-2-methylidene-3-propan-2-ylhexylidene)thiolane (CID 123217404) is 2-methylidene-3-(5-methyl-2-methylidene-3-propan-2-ylhexylidene)thiolane.
What is the SMILES notation for 2-methylidene-3-(5-methyl-2-methylidene-3-propan-2-ylhexylidene)thiolane?
The canonical SMILES for 2-methylidene-3-(5-methyl-2-methylidene-3-propan-2-ylhexylidene)thiolane is C=C1SCCC1=CC(=C)C(CC(C)C)C(C)C.
What is the InChIKey of 2-methylidene-3-(5-methyl-2-methylidene-3-propan-2-ylhexylidene)thiolane?
The InChIKey is UJXIFEQYRDFANA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26S/c1-11(2)9-16(12(3)4)13(5)10-15-7-8-17-14(15)6/h10-12,16H,5-9H2,1-4H3.
What are the key properties of 2-methylidene-3-(5-methyl-2-methylidene-3-propan-2-ylhexylidene)thiolane?
2-methylidene-3-(5-methyl-2-methylidene-3-propan-2-ylhexylidene)thiolane has a molecular weight of 250.45 g/mol, XLogP of 5.44, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylidene-3-(5-methyl-2-methylidene-3-propan-2-ylhexylidene)thiolane is sourced from PubChem (CID 123217404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).