3-(4,4-dimethylpent-1-en-3-ylsulfanyl)-4,4-dimethylpent-1-ene

C14H26S — CID 19043507

IUPAC3-(4,4-dimethylpent-1-en-3-ylsulfanyl)-4,4-dimethylpent-1-ene
SMILESC=CC(SC(C=C)C(C)(C)C)C(C)(C)C
InChIInChI=1S/C14H26S/c1-9-11(13(3,4)5)15-12(10-2)14(6,7)8/h9-12H,1-2H2,3-8H3
InChIKeyBBZXLOSPPZPKKZ-UHFFFAOYSA-N
MW226.43 g/mol
LogP4.92
Rot. Bonds4

About 3-(4,4-dimethylpent-1-en-3-ylsulfanyl)-4,4-dimethylpent-1-ene

3-(4,4-dimethylpent-1-en-3-ylsulfanyl)-4,4-dimethylpent-1-ene (PubChem CID 19043507) has the molecular formula C14H26S and a molecular weight of 226.43 g/mol. Its IUPAC name is 3-(4,4-dimethylpent-1-en-3-ylsulfanyl)-4,4-dimethylpent-1-ene.

Molecular Properties

Compound Name3-(4,4-dimethylpent-1-en-3-ylsulfanyl)-4,4-dimethylpent-1-ene
PubChem CID19043507
Molecular FormulaC14H26S
Molecular Weight226.43 g/mol
Exact Mass226.18
IUPAC Name3-(4,4-dimethylpent-1-en-3-ylsulfanyl)-4,4-dimethylpent-1-ene
SMILESC=CC(SC(C=C)C(C)(C)C)C(C)(C)C
InChIInChI=1S/C14H26S/c1-9-11(13(3,4)5)15-12(10-2)14(6,7)8/h9-12H,1-2H2,3-8H3
InChIKeyBBZXLOSPPZPKKZ-UHFFFAOYSA-N
XLogP4.92
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.43
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(4,4-dimethylpent-1-en-3-ylsulfanyl)-4,4-dimethylpent-1-ene?
The IUPAC name of 3-(4,4-dimethylpent-1-en-3-ylsulfanyl)-4,4-dimethylpent-1-ene (CID 19043507) is 3-(4,4-dimethylpent-1-en-3-ylsulfanyl)-4,4-dimethylpent-1-ene.
What is the SMILES notation for 3-(4,4-dimethylpent-1-en-3-ylsulfanyl)-4,4-dimethylpent-1-ene?
The canonical SMILES for 3-(4,4-dimethylpent-1-en-3-ylsulfanyl)-4,4-dimethylpent-1-ene is C=CC(SC(C=C)C(C)(C)C)C(C)(C)C.
What is the InChIKey of 3-(4,4-dimethylpent-1-en-3-ylsulfanyl)-4,4-dimethylpent-1-ene?
The InChIKey is BBZXLOSPPZPKKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26S/c1-9-11(13(3,4)5)15-12(10-2)14(6,7)8/h9-12H,1-2H2,3-8H3.
What are the key properties of 3-(4,4-dimethylpent-1-en-3-ylsulfanyl)-4,4-dimethylpent-1-ene?
3-(4,4-dimethylpent-1-en-3-ylsulfanyl)-4,4-dimethylpent-1-ene has a molecular weight of 226.43 g/mol, XLogP of 4.92, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,4-dimethylpent-1-en-3-ylsulfanyl)-4,4-dimethylpent-1-ene is sourced from PubChem (CID 19043507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).