(Z)-5,5-dimethyl-3-prop-1-en-2-ylsulfanyloct-2-ene

C13H24S — CID 170121670

IUPAC(Z)-5,5-dimethyl-3-prop-1-en-2-ylsulfanyloct-2-ene
SMILESC=C(C)S/C(=C\C)CC(C)(C)CCC
InChIInChI=1S/C13H24S/c1-7-9-13(5,6)10-12(8-2)14-11(3)4/h8H,3,7,9-10H2,1-2,4-6H3/b12-8-
InChIKeyGJEBOHQZEOXVGQ-WQLSENKSSA-N
MW212.40 g/mol
LogP5.37
Rot. Bonds6

About (Z)-5,5-dimethyl-3-prop-1-en-2-ylsulfanyloct-2-ene

(Z)-5,5-dimethyl-3-prop-1-en-2-ylsulfanyloct-2-ene (PubChem CID 170121670) has the molecular formula C13H24S and a molecular weight of 212.40 g/mol. Its IUPAC name is (Z)-5,5-dimethyl-3-prop-1-en-2-ylsulfanyloct-2-ene.

Molecular Properties

Compound Name(Z)-5,5-dimethyl-3-prop-1-en-2-ylsulfanyloct-2-ene
PubChem CID170121670
Molecular FormulaC13H24S
Molecular Weight212.40 g/mol
Exact Mass212.16
IUPAC Name(Z)-5,5-dimethyl-3-prop-1-en-2-ylsulfanyloct-2-ene
SMILESC=C(C)S/C(=C\C)CC(C)(C)CCC
InChIInChI=1S/C13H24S/c1-7-9-13(5,6)10-12(8-2)14-11(3)4/h8H,3,7,9-10H2,1-2,4-6H3/b12-8-
InChIKeyGJEBOHQZEOXVGQ-WQLSENKSSA-N
XLogP5.37
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500212.40
LogP ≤ 55.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(Z)-5,5-dimethyl-3-prop-1-en-2-ylsulfanylhex-2-ene
CID 170121658
ethane;hexane;pentane;(Z)-3-prop-1-en-2-ylsulfanylpent-2-ene
CID 144507729
2,4,4,6,6,8,8-heptamethylundec-1-ene
CID 140893403
(3E,5Z)-2,5-dimethylhepta-1,3,5-triene;3,3-dimethylhexane;ethane
CID 171811012
4-methyl-4-[1-[(E)-2,4,4-trimethylpent-1-enyl]sulfanylethenyl]heptane
CID 170068540
potassium;3,3-dimethylhexanoyl chloride;hydroxide
CID 143631773
2,4-dimethylhept-1-en-4-amine
CID 152808962
4-ethyl-4-methylheptane;2-methylprop-1-ene
CID 170590523
3,3-dimethylhexane
CID 11233
1-prop-1-en-2-ylsulfanylpropane
CID 118361917
3,3-dimethyl-5-methylidene-N-propylheptan-1-amine
CID 81021780
3,3-dimethylhexyl 2-methylprop-2-enoate
CID 59157270

Frequently Asked Questions

What is the IUPAC name of (Z)-5,5-dimethyl-3-prop-1-en-2-ylsulfanyloct-2-ene?
The IUPAC name of (Z)-5,5-dimethyl-3-prop-1-en-2-ylsulfanyloct-2-ene (CID 170121670) is (Z)-5,5-dimethyl-3-prop-1-en-2-ylsulfanyloct-2-ene.
What is the SMILES notation for (Z)-5,5-dimethyl-3-prop-1-en-2-ylsulfanyloct-2-ene?
The canonical SMILES for (Z)-5,5-dimethyl-3-prop-1-en-2-ylsulfanyloct-2-ene is C=C(C)S/C(=C\C)CC(C)(C)CCC.
What is the InChIKey of (Z)-5,5-dimethyl-3-prop-1-en-2-ylsulfanyloct-2-ene?
The InChIKey is GJEBOHQZEOXVGQ-WQLSENKSSA-N. The full InChI is InChI=1S/C13H24S/c1-7-9-13(5,6)10-12(8-2)14-11(3)4/h8H,3,7,9-10H2,1-2,4-6H3/b12-8-.
What are the key properties of (Z)-5,5-dimethyl-3-prop-1-en-2-ylsulfanyloct-2-ene?
(Z)-5,5-dimethyl-3-prop-1-en-2-ylsulfanyloct-2-ene has a molecular weight of 212.40 g/mol, XLogP of 5.37, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-5,5-dimethyl-3-prop-1-en-2-ylsulfanyloct-2-ene is sourced from PubChem (CID 170121670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).