methyl-methylidene-(6-methylundec-5-en-3-yl)-λ4-sulfane

C14H28S — CID 90907192

IUPACmethyl-methylidene-(6-methylundec-5-en-3-yl)-λ4-sulfane
SMILESC=S(C)C(CC)CC=C(C)CCCCC
InChIInChI=1S/C14H28S/c1-6-8-9-10-13(3)11-12-14(7-2)15(4)5/h11,14H,4,6-10,12H2,1-3,5H3
InChIKeyVQNAHZAZKBQQAY-UHFFFAOYSA-N
MW228.44 g/mol
LogP5.01
Rot. Bonds8

About methyl-methylidene-(6-methylundec-5-en-3-yl)-λ4-sulfane

methyl-methylidene-(6-methylundec-5-en-3-yl)-λ4-sulfane (PubChem CID 90907192) has the molecular formula C14H28S and a molecular weight of 228.44 g/mol. Its IUPAC name is methyl-methylidene-(6-methylundec-5-en-3-yl)-λ4-sulfane.

Molecular Properties

Compound Namemethyl-methylidene-(6-methylundec-5-en-3-yl)-λ4-sulfane
PubChem CID90907192
Molecular FormulaC14H28S
Molecular Weight228.44 g/mol
Exact Mass228.19
IUPAC Namemethyl-methylidene-(6-methylundec-5-en-3-yl)-λ4-sulfane
SMILESC=S(C)C(CC)CC=C(C)CCCCC
InChIInChI=1S/C14H28S/c1-6-8-9-10-13(3)11-12-14(7-2)15(4)5/h11,14H,4,6-10,12H2,1-3,5H3
InChIKeyVQNAHZAZKBQQAY-UHFFFAOYSA-N
XLogP5.01
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500228.44
LogP ≤ 55.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl-methylidene-(6-methylundec-5-en-3-yl)-λ4-sulfane?
The IUPAC name of methyl-methylidene-(6-methylundec-5-en-3-yl)-λ4-sulfane (CID 90907192) is methyl-methylidene-(6-methylundec-5-en-3-yl)-λ4-sulfane.
What is the SMILES notation for methyl-methylidene-(6-methylundec-5-en-3-yl)-λ4-sulfane?
The canonical SMILES for methyl-methylidene-(6-methylundec-5-en-3-yl)-λ4-sulfane is C=S(C)C(CC)CC=C(C)CCCCC.
What is the InChIKey of methyl-methylidene-(6-methylundec-5-en-3-yl)-λ4-sulfane?
The InChIKey is VQNAHZAZKBQQAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28S/c1-6-8-9-10-13(3)11-12-14(7-2)15(4)5/h11,14H,4,6-10,12H2,1-3,5H3.
What are the key properties of methyl-methylidene-(6-methylundec-5-en-3-yl)-λ4-sulfane?
methyl-methylidene-(6-methylundec-5-en-3-yl)-λ4-sulfane has a molecular weight of 228.44 g/mol, XLogP of 5.01, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-methylidene-(6-methylundec-5-en-3-yl)-λ4-sulfane is sourced from PubChem (CID 90907192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).