ethene;[(Z)-prop-1-enyl]sulfanylmethylcyclohexane

C12H22S — CID 176708755

IUPACethene;[(Z)-prop-1-enyl]sulfanylmethylcyclohexane
SMILESC/C=C\SCC1CCCCC1.C=C
InChIInChI=1S/C10H18S.C2H4/c1-2-8-11-9-10-6-4-3-5-7-10;1-2/h2,8,10H,3-7,9H2,1H3;1-2H2/b8-2-;
InChIKeyPRQPOKNBZGXYLV-WENINEFDSA-N
MW198.38 g/mol
LogP4.64
Rot. Bonds3

About ethene;[(Z)-prop-1-enyl]sulfanylmethylcyclohexane

ethene;[(Z)-prop-1-enyl]sulfanylmethylcyclohexane (PubChem CID 176708755) has the molecular formula C12H22S and a molecular weight of 198.38 g/mol. Its IUPAC name is ethene;[(Z)-prop-1-enyl]sulfanylmethylcyclohexane.

Molecular Properties

Compound Nameethene;[(Z)-prop-1-enyl]sulfanylmethylcyclohexane
PubChem CID176708755
Molecular FormulaC12H22S
Molecular Weight198.38 g/mol
Exact Mass198.14
IUPAC Nameethene;[(Z)-prop-1-enyl]sulfanylmethylcyclohexane
SMILESC/C=C\SCC1CCCCC1.C=C
InChIInChI=1S/C10H18S.C2H4/c1-2-8-11-9-10-6-4-3-5-7-10;1-2/h2,8,10H,3-7,9H2,1H3;1-2H2/b8-2-;
InChIKeyPRQPOKNBZGXYLV-WENINEFDSA-N
XLogP4.64
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.38
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethene;[(Z)-prop-1-enyl]sulfanylmethylcyclohexane?
The IUPAC name of ethene;[(Z)-prop-1-enyl]sulfanylmethylcyclohexane (CID 176708755) is ethene;[(Z)-prop-1-enyl]sulfanylmethylcyclohexane.
What is the SMILES notation for ethene;[(Z)-prop-1-enyl]sulfanylmethylcyclohexane?
The canonical SMILES for ethene;[(Z)-prop-1-enyl]sulfanylmethylcyclohexane is C/C=C\SCC1CCCCC1.C=C.
What is the InChIKey of ethene;[(Z)-prop-1-enyl]sulfanylmethylcyclohexane?
The InChIKey is PRQPOKNBZGXYLV-WENINEFDSA-N. The full InChI is InChI=1S/C10H18S.C2H4/c1-2-8-11-9-10-6-4-3-5-7-10;1-2/h2,8,10H,3-7,9H2,1H3;1-2H2/b8-2-;.
What are the key properties of ethene;[(Z)-prop-1-enyl]sulfanylmethylcyclohexane?
ethene;[(Z)-prop-1-enyl]sulfanylmethylcyclohexane has a molecular weight of 198.38 g/mol, XLogP of 4.64, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethene;[(Z)-prop-1-enyl]sulfanylmethylcyclohexane is sourced from PubChem (CID 176708755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).