1-[(E)-2-methylbut-1-enyl]sulfanylcyclohexene

C11H18S — CID 166974551

IUPAC1-[(E)-2-methylbut-1-enyl]sulfanylcyclohexene
SMILESCC/C(C)=C/SC1=CCCCC1
InChIInChI=1S/C11H18S/c1-3-10(2)9-12-11-7-5-4-6-8-11/h7,9H,3-6,8H2,1-2H3/b10-9+
InChIKeyWMNWBHCJKOTGHA-MDZDMXLPSA-N
MW182.33 g/mol
LogP4.49
Rot. Bonds3

About 1-[(E)-2-methylbut-1-enyl]sulfanylcyclohexene

1-[(E)-2-methylbut-1-enyl]sulfanylcyclohexene (PubChem CID 166974551) has the molecular formula C11H18S and a molecular weight of 182.33 g/mol. Its IUPAC name is 1-[(E)-2-methylbut-1-enyl]sulfanylcyclohexene.

Molecular Properties

Compound Name1-[(E)-2-methylbut-1-enyl]sulfanylcyclohexene
PubChem CID166974551
Molecular FormulaC11H18S
Molecular Weight182.33 g/mol
Exact Mass182.11
IUPAC Name1-[(E)-2-methylbut-1-enyl]sulfanylcyclohexene
SMILESCC/C(C)=C/SC1=CCCCC1
InChIInChI=1S/C11H18S/c1-3-10(2)9-12-11-7-5-4-6-8-11/h7,9H,3-6,8H2,1-2H3/b10-9+
InChIKeyWMNWBHCJKOTGHA-MDZDMXLPSA-N
XLogP4.49
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.33
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[(E)-2-methylbut-1-enyl]sulfanylcyclohexene?
The IUPAC name of 1-[(E)-2-methylbut-1-enyl]sulfanylcyclohexene (CID 166974551) is 1-[(E)-2-methylbut-1-enyl]sulfanylcyclohexene.
What is the SMILES notation for 1-[(E)-2-methylbut-1-enyl]sulfanylcyclohexene?
The canonical SMILES for 1-[(E)-2-methylbut-1-enyl]sulfanylcyclohexene is CC/C(C)=C/SC1=CCCCC1.
What is the InChIKey of 1-[(E)-2-methylbut-1-enyl]sulfanylcyclohexene?
The InChIKey is WMNWBHCJKOTGHA-MDZDMXLPSA-N. The full InChI is InChI=1S/C11H18S/c1-3-10(2)9-12-11-7-5-4-6-8-11/h7,9H,3-6,8H2,1-2H3/b10-9+.
What are the key properties of 1-[(E)-2-methylbut-1-enyl]sulfanylcyclohexene?
1-[(E)-2-methylbut-1-enyl]sulfanylcyclohexene has a molecular weight of 182.33 g/mol, XLogP of 4.49, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-2-methylbut-1-enyl]sulfanylcyclohexene is sourced from PubChem (CID 166974551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).