5-[(Z)-4-[(Z)-4-methoxyhex-2-enyl]sulfonylhex-2-enoxy]-2-methylcyclohexa-1,3-diene

C20H32O4S — CID 154952909

IUPAC5-[(Z)-4-[(Z)-4-methoxyhex-2-enyl]sulfonylhex-2-enoxy]-2-methylcyclohexa-1,3-diene
SMILESCCC(/C=C\CS(=O)(=O)C(/C=C\COC1C=CC(C)=CC1)CC)OC
InChIInChI=1S/C20H32O4S/c1-5-18(23-4)9-8-16-25(21,22)20(6-2)10-7-15-24-19-13-11-17(3)12-14-19/h7-13,18-20H,5-6,14-16H2,1-4H3/b9-8-,10-7-
InChIKeyCKWHXGGYSWOJPO-NFIXMJHSSA-N
MW368.54 g/mol
LogP4.01
Rot. Bonds11

About 5-[(Z)-4-[(Z)-4-methoxyhex-2-enyl]sulfonylhex-2-enoxy]-2-methylcyclohexa-1,3-diene

5-[(Z)-4-[(Z)-4-methoxyhex-2-enyl]sulfonylhex-2-enoxy]-2-methylcyclohexa-1,3-diene (PubChem CID 154952909) has the molecular formula C20H32O4S and a molecular weight of 368.54 g/mol. Its IUPAC name is 5-[(Z)-4-[(Z)-4-methoxyhex-2-enyl]sulfonylhex-2-enoxy]-2-methylcyclohexa-1,3-diene.

Molecular Properties

Compound Name5-[(Z)-4-[(Z)-4-methoxyhex-2-enyl]sulfonylhex-2-enoxy]-2-methylcyclohexa-1,3-diene
PubChem CID154952909
Molecular FormulaC20H32O4S
Molecular Weight368.54 g/mol
Exact Mass368.20
IUPAC Name5-[(Z)-4-[(Z)-4-methoxyhex-2-enyl]sulfonylhex-2-enoxy]-2-methylcyclohexa-1,3-diene
SMILESCCC(/C=C\CS(=O)(=O)C(/C=C\COC1C=CC(C)=CC1)CC)OC
InChIInChI=1S/C20H32O4S/c1-5-18(23-4)9-8-16-25(21,22)20(6-2)10-7-15-24-19-13-11-17(3)12-14-19/h7-13,18-20H,5-6,14-16H2,1-4H3/b9-8-,10-7-
InChIKeyCKWHXGGYSWOJPO-NFIXMJHSSA-N
XLogP4.01
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.54
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-[(Z)-4-[(Z)-4-methoxyhex-2-enyl]sulfonylhex-2-enoxy]-2-methylcyclohexa-1,3-diene?
The IUPAC name of 5-[(Z)-4-[(Z)-4-methoxyhex-2-enyl]sulfonylhex-2-enoxy]-2-methylcyclohexa-1,3-diene (CID 154952909) is 5-[(Z)-4-[(Z)-4-methoxyhex-2-enyl]sulfonylhex-2-enoxy]-2-methylcyclohexa-1,3-diene.
What is the SMILES notation for 5-[(Z)-4-[(Z)-4-methoxyhex-2-enyl]sulfonylhex-2-enoxy]-2-methylcyclohexa-1,3-diene?
The canonical SMILES for 5-[(Z)-4-[(Z)-4-methoxyhex-2-enyl]sulfonylhex-2-enoxy]-2-methylcyclohexa-1,3-diene is CCC(/C=C\CS(=O)(=O)C(/C=C\COC1C=CC(C)=CC1)CC)OC.
What is the InChIKey of 5-[(Z)-4-[(Z)-4-methoxyhex-2-enyl]sulfonylhex-2-enoxy]-2-methylcyclohexa-1,3-diene?
The InChIKey is CKWHXGGYSWOJPO-NFIXMJHSSA-N. The full InChI is InChI=1S/C20H32O4S/c1-5-18(23-4)9-8-16-25(21,22)20(6-2)10-7-15-24-19-13-11-17(3)12-14-19/h7-13,18-20H,5-6,14-16H2,1-4H3/b9-8-,10-7-.
What are the key properties of 5-[(Z)-4-[(Z)-4-methoxyhex-2-enyl]sulfonylhex-2-enoxy]-2-methylcyclohexa-1,3-diene?
5-[(Z)-4-[(Z)-4-methoxyhex-2-enyl]sulfonylhex-2-enoxy]-2-methylcyclohexa-1,3-diene has a molecular weight of 368.54 g/mol, XLogP of 4.01, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(Z)-4-[(Z)-4-methoxyhex-2-enyl]sulfonylhex-2-enoxy]-2-methylcyclohexa-1,3-diene is sourced from PubChem (CID 154952909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).