ethenyl-methylidene-[(Z)-4-methyl-4-propan-2-ylhept-2-en-3-yl]-λ4-sulfane

C14H26S — CID 89022720

IUPACethenyl-methylidene-[(Z)-4-methyl-4-propan-2-ylhept-2-en-3-yl]-λ4-sulfane
SMILESC=CS(=C)/C(=C\C)C(C)(CCC)C(C)C
InChIInChI=1S/C14H26S/c1-8-11-14(6,12(4)5)13(9-2)15(7)10-3/h9-10,12H,3,7-8,11H2,1-2,4-6H3/b13-9-
InChIKeyILVSFPFELSLKCI-LCYFTJDESA-N
MW226.43 g/mol
LogP5.20
Rot. Bonds6

About ethenyl-methylidene-[(Z)-4-methyl-4-propan-2-ylhept-2-en-3-yl]-λ4-sulfane

ethenyl-methylidene-[(Z)-4-methyl-4-propan-2-ylhept-2-en-3-yl]-λ4-sulfane (PubChem CID 89022720) has the molecular formula C14H26S and a molecular weight of 226.43 g/mol. Its IUPAC name is ethenyl-methylidene-[(Z)-4-methyl-4-propan-2-ylhept-2-en-3-yl]-λ4-sulfane.

Molecular Properties

Compound Nameethenyl-methylidene-[(Z)-4-methyl-4-propan-2-ylhept-2-en-3-yl]-λ4-sulfane
PubChem CID89022720
Molecular FormulaC14H26S
Molecular Weight226.43 g/mol
Exact Mass226.18
IUPAC Nameethenyl-methylidene-[(Z)-4-methyl-4-propan-2-ylhept-2-en-3-yl]-λ4-sulfane
SMILESC=CS(=C)/C(=C\C)C(C)(CCC)C(C)C
InChIInChI=1S/C14H26S/c1-8-11-14(6,12(4)5)13(9-2)15(7)10-3/h9-10,12H,3,7-8,11H2,1-2,4-6H3/b13-9-
InChIKeyILVSFPFELSLKCI-LCYFTJDESA-N
XLogP5.20
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500226.43
LogP ≤ 55.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethenyl-methylidene-[(Z)-4-methyl-4-propan-2-ylhept-2-en-3-yl]-λ4-sulfane?
The IUPAC name of ethenyl-methylidene-[(Z)-4-methyl-4-propan-2-ylhept-2-en-3-yl]-λ4-sulfane (CID 89022720) is ethenyl-methylidene-[(Z)-4-methyl-4-propan-2-ylhept-2-en-3-yl]-λ4-sulfane.
What is the SMILES notation for ethenyl-methylidene-[(Z)-4-methyl-4-propan-2-ylhept-2-en-3-yl]-λ4-sulfane?
The canonical SMILES for ethenyl-methylidene-[(Z)-4-methyl-4-propan-2-ylhept-2-en-3-yl]-λ4-sulfane is C=CS(=C)/C(=C\C)C(C)(CCC)C(C)C.
What is the InChIKey of ethenyl-methylidene-[(Z)-4-methyl-4-propan-2-ylhept-2-en-3-yl]-λ4-sulfane?
The InChIKey is ILVSFPFELSLKCI-LCYFTJDESA-N. The full InChI is InChI=1S/C14H26S/c1-8-11-14(6,12(4)5)13(9-2)15(7)10-3/h9-10,12H,3,7-8,11H2,1-2,4-6H3/b13-9-.
What are the key properties of ethenyl-methylidene-[(Z)-4-methyl-4-propan-2-ylhept-2-en-3-yl]-λ4-sulfane?
ethenyl-methylidene-[(Z)-4-methyl-4-propan-2-ylhept-2-en-3-yl]-λ4-sulfane has a molecular weight of 226.43 g/mol, XLogP of 5.20, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethenyl-methylidene-[(Z)-4-methyl-4-propan-2-ylhept-2-en-3-yl]-λ4-sulfane is sourced from PubChem (CID 89022720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).