(Z)-6,6-dimethyl-1-propan-2-ylsulfanylhept-3-ene

C12H24S — CID 129159591

IUPAC(Z)-6,6-dimethyl-1-propan-2-ylsulfanylhept-3-ene
SMILESCC(C)SCC/C=C\CC(C)(C)C
InChIInChI=1S/C12H24S/c1-11(2)13-10-8-6-7-9-12(3,4)5/h6-7,11H,8-10H2,1-5H3/b7-6-
InChIKeyXNGHVRABJZTIFM-SREVYHEPSA-N
MW200.39 g/mol
LogP4.51
Rot. Bonds5

About (Z)-6,6-dimethyl-1-propan-2-ylsulfanylhept-3-ene

(Z)-6,6-dimethyl-1-propan-2-ylsulfanylhept-3-ene (PubChem CID 129159591) has the molecular formula C12H24S and a molecular weight of 200.39 g/mol. Its IUPAC name is (Z)-6,6-dimethyl-1-propan-2-ylsulfanylhept-3-ene.

Molecular Properties

Compound Name(Z)-6,6-dimethyl-1-propan-2-ylsulfanylhept-3-ene
PubChem CID129159591
Molecular FormulaC12H24S
Molecular Weight200.39 g/mol
Exact Mass200.16
IUPAC Name(Z)-6,6-dimethyl-1-propan-2-ylsulfanylhept-3-ene
SMILESCC(C)SCC/C=C\CC(C)(C)C
InChIInChI=1S/C12H24S/c1-11(2)13-10-8-6-7-9-12(3,4)5/h6-7,11H,8-10H2,1-5H3/b7-6-
InChIKeyXNGHVRABJZTIFM-SREVYHEPSA-N
XLogP4.51
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.39
LogP ≤ 54.51
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 (Z)-6,6-dimethyl-1-propan-2-ylsulfanylhept-3-ene?
The IUPAC name of (Z)-6,6-dimethyl-1-propan-2-ylsulfanylhept-3-ene (CID 129159591) is (Z)-6,6-dimethyl-1-propan-2-ylsulfanylhept-3-ene.
What is the SMILES notation for (Z)-6,6-dimethyl-1-propan-2-ylsulfanylhept-3-ene?
The canonical SMILES for (Z)-6,6-dimethyl-1-propan-2-ylsulfanylhept-3-ene is CC(C)SCC/C=C\CC(C)(C)C.
What is the InChIKey of (Z)-6,6-dimethyl-1-propan-2-ylsulfanylhept-3-ene?
The InChIKey is XNGHVRABJZTIFM-SREVYHEPSA-N. The full InChI is InChI=1S/C12H24S/c1-11(2)13-10-8-6-7-9-12(3,4)5/h6-7,11H,8-10H2,1-5H3/b7-6-.
What are the key properties of (Z)-6,6-dimethyl-1-propan-2-ylsulfanylhept-3-ene?
(Z)-6,6-dimethyl-1-propan-2-ylsulfanylhept-3-ene has a molecular weight of 200.39 g/mol, XLogP of 4.51, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-6,6-dimethyl-1-propan-2-ylsulfanylhept-3-ene is sourced from PubChem (CID 129159591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).