(Z)-2,3-dimethyl-4-propan-2-yl-6-propan-2-ylsulfanylhept-3-ene

C15H30S — CID 170005026

IUPAC(Z)-2,3-dimethyl-4-propan-2-yl-6-propan-2-ylsulfanylhept-3-ene
SMILESC/C(=C(\CC(C)SC(C)C)C(C)C)C(C)C
InChIInChI=1S/C15H30S/c1-10(2)14(8)15(11(3)4)9-13(7)16-12(5)6/h10-13H,9H2,1-8H3/b15-14-
InChIKeyZSMJLLIJQZIMAD-PFONDFGASA-N
MW242.47 g/mol
LogP5.54
Rot. Bonds6

About (Z)-2,3-dimethyl-4-propan-2-yl-6-propan-2-ylsulfanylhept-3-ene

(Z)-2,3-dimethyl-4-propan-2-yl-6-propan-2-ylsulfanylhept-3-ene (PubChem CID 170005026) has the molecular formula C15H30S and a molecular weight of 242.47 g/mol. Its IUPAC name is (Z)-2,3-dimethyl-4-propan-2-yl-6-propan-2-ylsulfanylhept-3-ene.

Molecular Properties

Compound Name(Z)-2,3-dimethyl-4-propan-2-yl-6-propan-2-ylsulfanylhept-3-ene
PubChem CID170005026
Molecular FormulaC15H30S
Molecular Weight242.47 g/mol
Exact Mass242.21
IUPAC Name(Z)-2,3-dimethyl-4-propan-2-yl-6-propan-2-ylsulfanylhept-3-ene
SMILESC/C(=C(\CC(C)SC(C)C)C(C)C)C(C)C
InChIInChI=1S/C15H30S/c1-10(2)14(8)15(11(3)4)9-13(7)16-12(5)6/h10-13H,9H2,1-8H3/b15-14-
InChIKeyZSMJLLIJQZIMAD-PFONDFGASA-N
XLogP5.54
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500242.47
LogP ≤ 55.54
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 (Z)-2,3-dimethyl-4-propan-2-yl-6-propan-2-ylsulfanylhept-3-ene?
The IUPAC name of (Z)-2,3-dimethyl-4-propan-2-yl-6-propan-2-ylsulfanylhept-3-ene (CID 170005026) is (Z)-2,3-dimethyl-4-propan-2-yl-6-propan-2-ylsulfanylhept-3-ene.
What is the SMILES notation for (Z)-2,3-dimethyl-4-propan-2-yl-6-propan-2-ylsulfanylhept-3-ene?
The canonical SMILES for (Z)-2,3-dimethyl-4-propan-2-yl-6-propan-2-ylsulfanylhept-3-ene is C/C(=C(\CC(C)SC(C)C)C(C)C)C(C)C.
What is the InChIKey of (Z)-2,3-dimethyl-4-propan-2-yl-6-propan-2-ylsulfanylhept-3-ene?
The InChIKey is ZSMJLLIJQZIMAD-PFONDFGASA-N. The full InChI is InChI=1S/C15H30S/c1-10(2)14(8)15(11(3)4)9-13(7)16-12(5)6/h10-13H,9H2,1-8H3/b15-14-.
What are the key properties of (Z)-2,3-dimethyl-4-propan-2-yl-6-propan-2-ylsulfanylhept-3-ene?
(Z)-2,3-dimethyl-4-propan-2-yl-6-propan-2-ylsulfanylhept-3-ene has a molecular weight of 242.47 g/mol, XLogP of 5.54, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2,3-dimethyl-4-propan-2-yl-6-propan-2-ylsulfanylhept-3-ene is sourced from PubChem (CID 170005026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).