3,3-dimethyl-5-methylsulfinylpent-1-ene

C8H16OS — CID 123410455

IUPAC3,3-dimethyl-5-methylsulfinylpent-1-ene
SMILESC=CC(C)(C)CCS(C)=O
InChIInChI=1S/C8H16OS/c1-5-8(2,3)6-7-10(4)9/h5H,1,6-7H2,2-4H3
InChIKeyYQPYPFFWQXVXSL-UHFFFAOYSA-N
MW160.28 g/mol
LogP1.97
Rot. Bonds4

About 3,3-dimethyl-5-methylsulfinylpent-1-ene

3,3-dimethyl-5-methylsulfinylpent-1-ene (PubChem CID 123410455) has the molecular formula C8H16OS and a molecular weight of 160.28 g/mol. Its IUPAC name is 3,3-dimethyl-5-methylsulfinylpent-1-ene.

Molecular Properties

Compound Name3,3-dimethyl-5-methylsulfinylpent-1-ene
PubChem CID123410455
Molecular FormulaC8H16OS
Molecular Weight160.28 g/mol
Exact Mass160.09
IUPAC Name3,3-dimethyl-5-methylsulfinylpent-1-ene
SMILESC=CC(C)(C)CCS(C)=O
InChIInChI=1S/C8H16OS/c1-5-8(2,3)6-7-10(4)9/h5H,1,6-7H2,2-4H3
InChIKeyYQPYPFFWQXVXSL-UHFFFAOYSA-N
XLogP1.97
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.28
LogP ≤ 51.97
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 3,3-dimethyl-5-methylsulfinylpent-1-ene?
The IUPAC name of 3,3-dimethyl-5-methylsulfinylpent-1-ene (CID 123410455) is 3,3-dimethyl-5-methylsulfinylpent-1-ene.
What is the SMILES notation for 3,3-dimethyl-5-methylsulfinylpent-1-ene?
The canonical SMILES for 3,3-dimethyl-5-methylsulfinylpent-1-ene is C=CC(C)(C)CCS(C)=O.
What is the InChIKey of 3,3-dimethyl-5-methylsulfinylpent-1-ene?
The InChIKey is YQPYPFFWQXVXSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16OS/c1-5-8(2,3)6-7-10(4)9/h5H,1,6-7H2,2-4H3.
What are the key properties of 3,3-dimethyl-5-methylsulfinylpent-1-ene?
3,3-dimethyl-5-methylsulfinylpent-1-ene has a molecular weight of 160.28 g/mol, XLogP of 1.97, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-5-methylsulfinylpent-1-ene is sourced from PubChem (CID 123410455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).