1-prop-2-enylsulfanylcyclohexene

C9H14S — CID 118689835

IUPAC1-prop-2-enylsulfanylcyclohexene
SMILESC=CCSC1=CCCCC1
InChIInChI=1S/C9H14S/c1-2-8-10-9-6-4-3-5-7-9/h2,6H,1,3-5,7-8H2
InChIKeyKFZXPHQOQZFXEW-UHFFFAOYSA-N
MW154.28 g/mol
LogP3.36
Rot. Bonds3

About 1-prop-2-enylsulfanylcyclohexene

1-prop-2-enylsulfanylcyclohexene (PubChem CID 118689835) has the molecular formula C9H14S and a molecular weight of 154.28 g/mol. Its IUPAC name is 1-prop-2-enylsulfanylcyclohexene.

Molecular Properties

Compound Name1-prop-2-enylsulfanylcyclohexene
PubChem CID118689835
Molecular FormulaC9H14S
Molecular Weight154.28 g/mol
Exact Mass154.08
IUPAC Name1-prop-2-enylsulfanylcyclohexene
SMILESC=CCSC1=CCCCC1
InChIInChI=1S/C9H14S/c1-2-8-10-9-6-4-3-5-7-9/h2,6H,1,3-5,7-8H2
InChIKeyKFZXPHQOQZFXEW-UHFFFAOYSA-N
XLogP3.36
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.28
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-butylsulfanylcyclohexene
CID 10920955
1-[3-(cyclohexen-1-ylsulfanyl)propyl]pyrrolidine
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1-ethylsulfanylcyclopentene
CID 13244648
1-hex-5-enylcyclohexene
CID 123683483
(1E,2Z)-1,2-bis(but-3-enylidene)cyclohexane
CID 177482079
1-ethenylcyclooctene
CID 54012738
(1E)-1-[(1E)-cyclopentadecen-1-yl]cyclopentadecene
CID 139760940
1-(cyclodecen-1-yl)cyclodecene
CID 54296371
(1E)-1-phenylsulfanylcyclopentadecene
CID 102369747
5-(cyclohexen-1-yl)-5-prop-2-enyl-2-sulfanylidene-1,3-diazinane-4,6-dione
CID 3032457
N-ethenylcyclohexen-1-amine
CID 67050822
1-ethenylcyclohexene;methylidenecyclopropane
CID 159160472

Frequently Asked Questions

What is the IUPAC name of 1-prop-2-enylsulfanylcyclohexene?
The IUPAC name of 1-prop-2-enylsulfanylcyclohexene (CID 118689835) is 1-prop-2-enylsulfanylcyclohexene.
What is the SMILES notation for 1-prop-2-enylsulfanylcyclohexene?
The canonical SMILES for 1-prop-2-enylsulfanylcyclohexene is C=CCSC1=CCCCC1.
What is the InChIKey of 1-prop-2-enylsulfanylcyclohexene?
The InChIKey is KFZXPHQOQZFXEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14S/c1-2-8-10-9-6-4-3-5-7-9/h2,6H,1,3-5,7-8H2.
What are the key properties of 1-prop-2-enylsulfanylcyclohexene?
1-prop-2-enylsulfanylcyclohexene has a molecular weight of 154.28 g/mol, XLogP of 3.36, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-prop-2-enylsulfanylcyclohexene is sourced from PubChem (CID 118689835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).