hex-1-en-2-ylsulfanylcyclohexane

C12H22S — CID 58150586

IUPAChex-1-en-2-ylsulfanylcyclohexane
SMILESC=C(CCCC)SC1CCCCC1
InChIInChI=1S/C12H22S/c1-3-4-8-11(2)13-12-9-6-5-7-10-12/h12H,2-10H2,1H3
InChIKeyRNPMHMKXARBXPQ-UHFFFAOYSA-N
MW198.37 g/mol
LogP4.76
Rot. Bonds5

About hex-1-en-2-ylsulfanylcyclohexane

hex-1-en-2-ylsulfanylcyclohexane (PubChem CID 58150586) has the molecular formula C12H22S and a molecular weight of 198.37 g/mol. Its IUPAC name is hex-1-en-2-ylsulfanylcyclohexane.

Molecular Properties

Compound Namehex-1-en-2-ylsulfanylcyclohexane
PubChem CID58150586
Molecular FormulaC12H22S
Molecular Weight198.37 g/mol
Exact Mass198.14
IUPAC Namehex-1-en-2-ylsulfanylcyclohexane
SMILESC=C(CCCC)SC1CCCCC1
InChIInChI=1S/C12H22S/c1-3-4-8-11(2)13-12-9-6-5-7-10-12/h12H,2-10H2,1H3
InChIKeyRNPMHMKXARBXPQ-UHFFFAOYSA-N
XLogP4.76
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.37
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of hex-1-en-2-ylsulfanylcyclohexane?
The IUPAC name of hex-1-en-2-ylsulfanylcyclohexane (CID 58150586) is hex-1-en-2-ylsulfanylcyclohexane.
What is the SMILES notation for hex-1-en-2-ylsulfanylcyclohexane?
The canonical SMILES for hex-1-en-2-ylsulfanylcyclohexane is C=C(CCCC)SC1CCCCC1.
What is the InChIKey of hex-1-en-2-ylsulfanylcyclohexane?
The InChIKey is RNPMHMKXARBXPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22S/c1-3-4-8-11(2)13-12-9-6-5-7-10-12/h12H,2-10H2,1H3.
What are the key properties of hex-1-en-2-ylsulfanylcyclohexane?
hex-1-en-2-ylsulfanylcyclohexane has a molecular weight of 198.37 g/mol, XLogP of 4.76, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for hex-1-en-2-ylsulfanylcyclohexane is sourced from PubChem (CID 58150586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).