(Z)-2,7-dimethyl-3-methylsulfanyloct-3-ene

C11H22S — CID 88884463

IUPAC(Z)-2,7-dimethyl-3-methylsulfanyloct-3-ene
SMILESCS/C(=C\CCC(C)C)C(C)C
InChIInChI=1S/C11H22S/c1-9(2)7-6-8-11(12-5)10(3)4/h8-10H,6-7H2,1-5H3/b11-8-
InChIKeySVDZBZWRNSIPNR-FLIBITNWSA-N
MW186.36 g/mol
LogP4.33
Rot. Bonds5

About (Z)-2,7-dimethyl-3-methylsulfanyloct-3-ene

(Z)-2,7-dimethyl-3-methylsulfanyloct-3-ene (PubChem CID 88884463) has the molecular formula C11H22S and a molecular weight of 186.36 g/mol. Its IUPAC name is (Z)-2,7-dimethyl-3-methylsulfanyloct-3-ene.

Molecular Properties

Compound Name(Z)-2,7-dimethyl-3-methylsulfanyloct-3-ene
PubChem CID88884463
Molecular FormulaC11H22S
Molecular Weight186.36 g/mol
Exact Mass186.14
IUPAC Name(Z)-2,7-dimethyl-3-methylsulfanyloct-3-ene
SMILESCS/C(=C\CCC(C)C)C(C)C
InChIInChI=1S/C11H22S/c1-9(2)7-6-8-11(12-5)10(3)4/h8-10H,6-7H2,1-5H3/b11-8-
InChIKeySVDZBZWRNSIPNR-FLIBITNWSA-N
XLogP4.33
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.36
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (Z)-2,7-dimethyl-3-methylsulfanyloct-3-ene?
The IUPAC name of (Z)-2,7-dimethyl-3-methylsulfanyloct-3-ene (CID 88884463) is (Z)-2,7-dimethyl-3-methylsulfanyloct-3-ene.
What is the SMILES notation for (Z)-2,7-dimethyl-3-methylsulfanyloct-3-ene?
The canonical SMILES for (Z)-2,7-dimethyl-3-methylsulfanyloct-3-ene is CS/C(=C\CCC(C)C)C(C)C.
What is the InChIKey of (Z)-2,7-dimethyl-3-methylsulfanyloct-3-ene?
The InChIKey is SVDZBZWRNSIPNR-FLIBITNWSA-N. The full InChI is InChI=1S/C11H22S/c1-9(2)7-6-8-11(12-5)10(3)4/h8-10H,6-7H2,1-5H3/b11-8-.
What are the key properties of (Z)-2,7-dimethyl-3-methylsulfanyloct-3-ene?
(Z)-2,7-dimethyl-3-methylsulfanyloct-3-ene has a molecular weight of 186.36 g/mol, XLogP of 4.33, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2,7-dimethyl-3-methylsulfanyloct-3-ene is sourced from PubChem (CID 88884463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).