3-hex-2-en-2-ylsulfanyl-5-methylhex-2-ene

C13H24S — CID 90992888

IUPAC3-hex-2-en-2-ylsulfanyl-5-methylhex-2-ene
SMILESCC=C(CC(C)C)SC(C)=CCCC
InChIInChI=1S/C13H24S/c1-6-8-9-12(5)14-13(7-2)10-11(3)4/h7,9,11H,6,8,10H2,1-5H3
InChIKeyIKOWKFHABBVPNX-UHFFFAOYSA-N
MW212.40 g/mol
LogP5.37
Rot. Bonds6

About 3-hex-2-en-2-ylsulfanyl-5-methylhex-2-ene

3-hex-2-en-2-ylsulfanyl-5-methylhex-2-ene (PubChem CID 90992888) has the molecular formula C13H24S and a molecular weight of 212.40 g/mol. Its IUPAC name is 3-hex-2-en-2-ylsulfanyl-5-methylhex-2-ene.

Molecular Properties

Compound Name3-hex-2-en-2-ylsulfanyl-5-methylhex-2-ene
PubChem CID90992888
Molecular FormulaC13H24S
Molecular Weight212.40 g/mol
Exact Mass212.16
IUPAC Name3-hex-2-en-2-ylsulfanyl-5-methylhex-2-ene
SMILESCC=C(CC(C)C)SC(C)=CCCC
InChIInChI=1S/C13H24S/c1-6-8-9-12(5)14-13(7-2)10-11(3)4/h7,9,11H,6,8,10H2,1-5H3
InChIKeyIKOWKFHABBVPNX-UHFFFAOYSA-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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Frequently Asked Questions

What is the IUPAC name of 3-hex-2-en-2-ylsulfanyl-5-methylhex-2-ene?
The IUPAC name of 3-hex-2-en-2-ylsulfanyl-5-methylhex-2-ene (CID 90992888) is 3-hex-2-en-2-ylsulfanyl-5-methylhex-2-ene.
What is the SMILES notation for 3-hex-2-en-2-ylsulfanyl-5-methylhex-2-ene?
The canonical SMILES for 3-hex-2-en-2-ylsulfanyl-5-methylhex-2-ene is CC=C(CC(C)C)SC(C)=CCCC.
What is the InChIKey of 3-hex-2-en-2-ylsulfanyl-5-methylhex-2-ene?
The InChIKey is IKOWKFHABBVPNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24S/c1-6-8-9-12(5)14-13(7-2)10-11(3)4/h7,9,11H,6,8,10H2,1-5H3.
What are the key properties of 3-hex-2-en-2-ylsulfanyl-5-methylhex-2-ene?
3-hex-2-en-2-ylsulfanyl-5-methylhex-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 3-hex-2-en-2-ylsulfanyl-5-methylhex-2-ene is sourced from PubChem (CID 90992888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).