(Z)-2-methyl-1-methylsulfanyloct-1-ene

C10H20S — CID 100956910

IUPAC(Z)-2-methyl-1-methylsulfanyloct-1-ene
SMILESCCCCCC/C(C)=C\SC
InChIInChI=1S/C10H20S/c1-4-5-6-7-8-10(2)9-11-3/h9H,4-8H2,1-3H3/b10-9-
InChIKeyKYGUSOHJIXFIBG-KTKRTIGZSA-N
MW172.34 g/mol
LogP4.22
Rot. Bonds6

About (Z)-2-methyl-1-methylsulfanyloct-1-ene

(Z)-2-methyl-1-methylsulfanyloct-1-ene (PubChem CID 100956910) has the molecular formula C10H20S and a molecular weight of 172.34 g/mol. Its IUPAC name is (Z)-2-methyl-1-methylsulfanyloct-1-ene.

Molecular Properties

Compound Name(Z)-2-methyl-1-methylsulfanyloct-1-ene
PubChem CID100956910
Molecular FormulaC10H20S
Molecular Weight172.34 g/mol
Exact Mass172.13
IUPAC Name(Z)-2-methyl-1-methylsulfanyloct-1-ene
SMILESCCCCCC/C(C)=C\SC
InChIInChI=1S/C10H20S/c1-4-5-6-7-8-10(2)9-11-3/h9H,4-8H2,1-3H3/b10-9-
InChIKeyKYGUSOHJIXFIBG-KTKRTIGZSA-N
XLogP4.22
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.34
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-methylnonadec-2-ene
CID 23160392
3-methyldec-2-ene
CID 550799
(E)-3-methyltridec-2-ene
CID 22000795
4-methyltetradec-3-en-2-ol
CID 71428210
(6E,8E)-6,9-dimethyltetradeca-6,8-diene
CID 16741365
4-methylheptadec-3-ene
CID 59169426
2-methylhept-1-en-1-ol
CID 141483452
7-methylhenicos-7-ene
CID 173033031
6-methyldocos-6-ene
CID 629460
(E)-9-methylnonadec-9-ene
CID 14783585
(E)-10-methylnonadec-9-ene
CID 5364653
7-methyloctadec-7-ene
CID 123477460

Frequently Asked Questions

What is the IUPAC name of (Z)-2-methyl-1-methylsulfanyloct-1-ene?
The IUPAC name of (Z)-2-methyl-1-methylsulfanyloct-1-ene (CID 100956910) is (Z)-2-methyl-1-methylsulfanyloct-1-ene.
What is the SMILES notation for (Z)-2-methyl-1-methylsulfanyloct-1-ene?
The canonical SMILES for (Z)-2-methyl-1-methylsulfanyloct-1-ene is CCCCCC/C(C)=C\SC.
What is the InChIKey of (Z)-2-methyl-1-methylsulfanyloct-1-ene?
The InChIKey is KYGUSOHJIXFIBG-KTKRTIGZSA-N. The full InChI is InChI=1S/C10H20S/c1-4-5-6-7-8-10(2)9-11-3/h9H,4-8H2,1-3H3/b10-9-.
What are the key properties of (Z)-2-methyl-1-methylsulfanyloct-1-ene?
(Z)-2-methyl-1-methylsulfanyloct-1-ene has a molecular weight of 172.34 g/mol, XLogP of 4.22, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-methyl-1-methylsulfanyloct-1-ene is sourced from PubChem (CID 100956910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).