trimethyl(3-methylhex-5-enyl)-λ4-sulfane

C10H22S — CID 139332733

IUPACtrimethyl(3-methylhex-5-enyl)-λ4-sulfane
SMILESC=CCC(C)CCS(C)(C)C
InChIInChI=1S/C10H22S/c1-6-7-10(2)8-9-11(3,4)5/h6,10H,1,7-9H2,2-5H3
InChIKeyJDKWXEDAJQXKGP-UHFFFAOYSA-N
MW174.35 g/mol
LogP3.28
Rot. Bonds5

About trimethyl(3-methylhex-5-enyl)-λ4-sulfane

trimethyl(3-methylhex-5-enyl)-λ4-sulfane (PubChem CID 139332733) has the molecular formula C10H22S and a molecular weight of 174.35 g/mol. Its IUPAC name is trimethyl(3-methylhex-5-enyl)-λ4-sulfane.

Molecular Properties

Compound Nametrimethyl(3-methylhex-5-enyl)-λ4-sulfane
PubChem CID139332733
Molecular FormulaC10H22S
Molecular Weight174.35 g/mol
Exact Mass174.14
IUPAC Nametrimethyl(3-methylhex-5-enyl)-λ4-sulfane
SMILESC=CCC(C)CCS(C)(C)C
InChIInChI=1S/C10H22S/c1-6-7-10(2)8-9-11(3,4)5/h6,10H,1,7-9H2,2-5H3
InChIKeyJDKWXEDAJQXKGP-UHFFFAOYSA-N
XLogP3.28
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.35
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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 trimethyl(3-methylhex-5-enyl)-λ4-sulfane?
The IUPAC name of trimethyl(3-methylhex-5-enyl)-λ4-sulfane (CID 139332733) is trimethyl(3-methylhex-5-enyl)-λ4-sulfane.
What is the SMILES notation for trimethyl(3-methylhex-5-enyl)-λ4-sulfane?
The canonical SMILES for trimethyl(3-methylhex-5-enyl)-λ4-sulfane is C=CCC(C)CCS(C)(C)C.
What is the InChIKey of trimethyl(3-methylhex-5-enyl)-λ4-sulfane?
The InChIKey is JDKWXEDAJQXKGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22S/c1-6-7-10(2)8-9-11(3,4)5/h6,10H,1,7-9H2,2-5H3.
What are the key properties of trimethyl(3-methylhex-5-enyl)-λ4-sulfane?
trimethyl(3-methylhex-5-enyl)-λ4-sulfane has a molecular weight of 174.35 g/mol, XLogP of 3.28, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl(3-methylhex-5-enyl)-λ4-sulfane is sourced from PubChem (CID 139332733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).