5-methyl-3-[(Z)-3-methylpent-2-enyl]sulfanylcyclohexene

C13H22S — CID 70911061

IUPAC5-methyl-3-[(Z)-3-methylpent-2-enyl]sulfanylcyclohexene
SMILESCC/C(C)=C\CSC1C=CCC(C)C1
InChIInChI=1S/C13H22S/c1-4-11(2)8-9-14-13-7-5-6-12(3)10-13/h5,7-8,12-13H,4,6,9-10H2,1-3H3/b11-8-
InChIKeyRJDTVPAJLCOYDN-FLIBITNWSA-N
MW210.39 g/mol
LogP4.43
Rot. Bonds4

About 5-methyl-3-[(Z)-3-methylpent-2-enyl]sulfanylcyclohexene

5-methyl-3-[(Z)-3-methylpent-2-enyl]sulfanylcyclohexene (PubChem CID 70911061) has the molecular formula C13H22S and a molecular weight of 210.39 g/mol. Its IUPAC name is 5-methyl-3-[(Z)-3-methylpent-2-enyl]sulfanylcyclohexene.

Molecular Properties

Compound Name5-methyl-3-[(Z)-3-methylpent-2-enyl]sulfanylcyclohexene
PubChem CID70911061
Molecular FormulaC13H22S
Molecular Weight210.39 g/mol
Exact Mass210.14
IUPAC Name5-methyl-3-[(Z)-3-methylpent-2-enyl]sulfanylcyclohexene
SMILESCC/C(C)=C\CSC1C=CCC(C)C1
InChIInChI=1S/C13H22S/c1-4-11(2)8-9-14-13-7-5-6-12(3)10-13/h5,7-8,12-13H,4,6,9-10H2,1-3H3/b11-8-
InChIKeyRJDTVPAJLCOYDN-FLIBITNWSA-N
XLogP4.43
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.39
LogP ≤ 54.43
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 5-methyl-3-[(Z)-3-methylpent-2-enyl]sulfanylcyclohexene?
The IUPAC name of 5-methyl-3-[(Z)-3-methylpent-2-enyl]sulfanylcyclohexene (CID 70911061) is 5-methyl-3-[(Z)-3-methylpent-2-enyl]sulfanylcyclohexene.
What is the SMILES notation for 5-methyl-3-[(Z)-3-methylpent-2-enyl]sulfanylcyclohexene?
The canonical SMILES for 5-methyl-3-[(Z)-3-methylpent-2-enyl]sulfanylcyclohexene is CC/C(C)=C\CSC1C=CCC(C)C1.
What is the InChIKey of 5-methyl-3-[(Z)-3-methylpent-2-enyl]sulfanylcyclohexene?
The InChIKey is RJDTVPAJLCOYDN-FLIBITNWSA-N. The full InChI is InChI=1S/C13H22S/c1-4-11(2)8-9-14-13-7-5-6-12(3)10-13/h5,7-8,12-13H,4,6,9-10H2,1-3H3/b11-8-.
What are the key properties of 5-methyl-3-[(Z)-3-methylpent-2-enyl]sulfanylcyclohexene?
5-methyl-3-[(Z)-3-methylpent-2-enyl]sulfanylcyclohexene has a molecular weight of 210.39 g/mol, XLogP of 4.43, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-[(Z)-3-methylpent-2-enyl]sulfanylcyclohexene is sourced from PubChem (CID 70911061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).