6-tert-butylsulfinylhept-1-ene

C11H22OS — CID 134896633

IUPAC6-tert-butylsulfinylhept-1-ene
SMILESC=CCCCC(C)S(=O)C(C)(C)C
InChIInChI=1S/C11H22OS/c1-6-7-8-9-10(2)13(12)11(3,4)5/h6,10H,1,7-9H2,2-5H3
InChIKeyPAXCRYHDCGBFJW-UHFFFAOYSA-N
MW202.36 g/mol
LogP3.28
Rot. Bonds5

About 6-tert-butylsulfinylhept-1-ene

6-tert-butylsulfinylhept-1-ene (PubChem CID 134896633) has the molecular formula C11H22OS and a molecular weight of 202.36 g/mol. Its IUPAC name is 6-tert-butylsulfinylhept-1-ene.

Molecular Properties

Compound Name6-tert-butylsulfinylhept-1-ene
PubChem CID134896633
Molecular FormulaC11H22OS
Molecular Weight202.36 g/mol
Exact Mass202.14
IUPAC Name6-tert-butylsulfinylhept-1-ene
SMILESC=CCCCC(C)S(=O)C(C)(C)C
InChIInChI=1S/C11H22OS/c1-6-7-8-9-10(2)13(12)11(3,4)5/h6,10H,1,7-9H2,2-5H3
InChIKeyPAXCRYHDCGBFJW-UHFFFAOYSA-N
XLogP3.28
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.36
LogP ≤ 53.28
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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Frequently Asked Questions

What is the IUPAC name of 6-tert-butylsulfinylhept-1-ene?
The IUPAC name of 6-tert-butylsulfinylhept-1-ene (CID 134896633) is 6-tert-butylsulfinylhept-1-ene.
What is the SMILES notation for 6-tert-butylsulfinylhept-1-ene?
The canonical SMILES for 6-tert-butylsulfinylhept-1-ene is C=CCCCC(C)S(=O)C(C)(C)C.
What is the InChIKey of 6-tert-butylsulfinylhept-1-ene?
The InChIKey is PAXCRYHDCGBFJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22OS/c1-6-7-8-9-10(2)13(12)11(3,4)5/h6,10H,1,7-9H2,2-5H3.
What are the key properties of 6-tert-butylsulfinylhept-1-ene?
6-tert-butylsulfinylhept-1-ene has a molecular weight of 202.36 g/mol, XLogP of 3.28, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butylsulfinylhept-1-ene is sourced from PubChem (CID 134896633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).