4-cyclohex-3-en-1-yl-2-[(3R)-2,3,6,7-tetramethyloctan-3-yl]-3,4-dihydro-2H-thiopyran

C23H40S — CID 170144432

IUPAC4-cyclohex-3-en-1-yl-2-[(3R)-2,3,6,7-tetramethyloctan-3-yl]-3,4-dihydro-2H-thiopyran
SMILESCC(C)C(C)CC[C@](C)(C(C)C)C1CC(C2CC=CCC2)C=CS1
InChIInChI=1S/C23H40S/c1-17(2)19(5)12-14-23(6,18(3)4)22-16-21(13-15-24-22)20-10-8-7-9-11-20/h7-8,13,15,17-22H,9-12,14,16H2,1-6H3/t19?,20?,21?,22?,23-/m1/s1
InChIKeyKQTKPPCYLIFBPI-PMNLSXDQSA-N
MW348.64 g/mol
LogP7.71
Rot. Bonds7

About 4-cyclohex-3-en-1-yl-2-[(3R)-2,3,6,7-tetramethyloctan-3-yl]-3,4-dihydro-2H-thiopyran

4-cyclohex-3-en-1-yl-2-[(3R)-2,3,6,7-tetramethyloctan-3-yl]-3,4-dihydro-2H-thiopyran (PubChem CID 170144432) has the molecular formula C23H40S and a molecular weight of 348.64 g/mol. Its IUPAC name is 4-cyclohex-3-en-1-yl-2-[(3R)-2,3,6,7-tetramethyloctan-3-yl]-3,4-dihydro-2H-thiopyran.

Molecular Properties

Compound Name4-cyclohex-3-en-1-yl-2-[(3R)-2,3,6,7-tetramethyloctan-3-yl]-3,4-dihydro-2H-thiopyran
PubChem CID170144432
Molecular FormulaC23H40S
Molecular Weight348.64 g/mol
Exact Mass348.29
IUPAC Name4-cyclohex-3-en-1-yl-2-[(3R)-2,3,6,7-tetramethyloctan-3-yl]-3,4-dihydro-2H-thiopyran
SMILESCC(C)C(C)CC[C@](C)(C(C)C)C1CC(C2CC=CCC2)C=CS1
InChIInChI=1S/C23H40S/c1-17(2)19(5)12-14-23(6,18(3)4)22-16-21(13-15-24-22)20-10-8-7-9-11-20/h7-8,13,15,17-22H,9-12,14,16H2,1-6H3/t19?,20?,21?,22?,23-/m1/s1
InChIKeyKQTKPPCYLIFBPI-PMNLSXDQSA-N
XLogP7.71
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.64
LogP ≤ 57.71
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 4-cyclohex-3-en-1-yl-2-[(3R)-2,3,6,7-tetramethyloctan-3-yl]-3,4-dihydro-2H-thiopyran?
The IUPAC name of 4-cyclohex-3-en-1-yl-2-[(3R)-2,3,6,7-tetramethyloctan-3-yl]-3,4-dihydro-2H-thiopyran (CID 170144432) is 4-cyclohex-3-en-1-yl-2-[(3R)-2,3,6,7-tetramethyloctan-3-yl]-3,4-dihydro-2H-thiopyran.
What is the SMILES notation for 4-cyclohex-3-en-1-yl-2-[(3R)-2,3,6,7-tetramethyloctan-3-yl]-3,4-dihydro-2H-thiopyran?
The canonical SMILES for 4-cyclohex-3-en-1-yl-2-[(3R)-2,3,6,7-tetramethyloctan-3-yl]-3,4-dihydro-2H-thiopyran is CC(C)C(C)CC[C@](C)(C(C)C)C1CC(C2CC=CCC2)C=CS1.
What is the InChIKey of 4-cyclohex-3-en-1-yl-2-[(3R)-2,3,6,7-tetramethyloctan-3-yl]-3,4-dihydro-2H-thiopyran?
The InChIKey is KQTKPPCYLIFBPI-PMNLSXDQSA-N. The full InChI is InChI=1S/C23H40S/c1-17(2)19(5)12-14-23(6,18(3)4)22-16-21(13-15-24-22)20-10-8-7-9-11-20/h7-8,13,15,17-22H,9-12,14,16H2,1-6H3/t19?,20?,21?,22?,23-/m1/s1.
What are the key properties of 4-cyclohex-3-en-1-yl-2-[(3R)-2,3,6,7-tetramethyloctan-3-yl]-3,4-dihydro-2H-thiopyran?
4-cyclohex-3-en-1-yl-2-[(3R)-2,3,6,7-tetramethyloctan-3-yl]-3,4-dihydro-2H-thiopyran has a molecular weight of 348.64 g/mol, XLogP of 7.71, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohex-3-en-1-yl-2-[(3R)-2,3,6,7-tetramethyloctan-3-yl]-3,4-dihydro-2H-thiopyran is sourced from PubChem (CID 170144432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).