hepta-3,5-dien-2-yl-methyl-diphenyl-λ4-sulfane

C20H24S — CID 123752261

IUPAChepta-3,5-dien-2-yl-methyl-diphenyl-λ4-sulfane
SMILESCC=CC=CC(C)S(C)(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H24S/c1-4-5-8-13-18(2)21(3,19-14-9-6-10-15-19)20-16-11-7-12-17-20/h4-18H,1-3H3
InChIKeyKOLHGNOULRUQBO-UHFFFAOYSA-N
MW296.48 g/mol
LogP6.06
Rot. Bonds5

About hepta-3,5-dien-2-yl-methyl-diphenyl-λ4-sulfane

hepta-3,5-dien-2-yl-methyl-diphenyl-λ4-sulfane (PubChem CID 123752261) has the molecular formula C20H24S and a molecular weight of 296.48 g/mol. Its IUPAC name is hepta-3,5-dien-2-yl-methyl-diphenyl-λ4-sulfane.

Molecular Properties

Compound Namehepta-3,5-dien-2-yl-methyl-diphenyl-λ4-sulfane
PubChem CID123752261
Molecular FormulaC20H24S
Molecular Weight296.48 g/mol
Exact Mass296.16
IUPAC Namehepta-3,5-dien-2-yl-methyl-diphenyl-λ4-sulfane
SMILESCC=CC=CC(C)S(C)(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H24S/c1-4-5-8-13-18(2)21(3,19-14-9-6-10-15-19)20-16-11-7-12-17-20/h4-18H,1-3H3
InChIKeyKOLHGNOULRUQBO-UHFFFAOYSA-N
XLogP6.06
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500296.48
LogP ≤ 56.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

[(4Z,6Z)-octa-1,4,6-trien-3-yl]sulfonylbenzene
CID 134219675
[(Z)-pent-3-en-2-yl]sulfonylbenzene
CID 146400079
[(2E,4E)-1-methoxyhexa-2,4-dienyl]benzene
CID 164672506
[(3E,5E)-nona-3,5-dien-2-yl]sulfonylbenzene
CID 13182054
2-[(3E,5Z)-hepta-3,5-dien-2-yl]pyridine
CID 144961155
(NE)-N-[(E)-but-2-enylidene]benzenesulfonamide
CID 11830668
[(Z)-pent-3-en-2-yl]-triphenylphosphanium
CID 13156142
(3Z,5Z,7Z)-nona-3,5,7-triene-2-sulfonic acid
CID 89217483
pent-3-en-2-yl(triphenyl)phosphanium
CID 73166732
(2E,3Z,5Z)-1-(benzenesulfonyl)-2-ethylidenehepta-3,5-dien-1-amine
CID 137444689
4-[4-(N-[(3Z,5Z)-hepta-3,5-dien-2-yl]anilino)phenyl]-N,N-diphenylaniline
CID 167084027
[(2Z,4Z)-hexa-2,4-dienyl]-methyl-diphenylphosphanium
CID 154980147

Frequently Asked Questions

What is the IUPAC name of hepta-3,5-dien-2-yl-methyl-diphenyl-λ4-sulfane?
The IUPAC name of hepta-3,5-dien-2-yl-methyl-diphenyl-λ4-sulfane (CID 123752261) is hepta-3,5-dien-2-yl-methyl-diphenyl-λ4-sulfane.
What is the SMILES notation for hepta-3,5-dien-2-yl-methyl-diphenyl-λ4-sulfane?
The canonical SMILES for hepta-3,5-dien-2-yl-methyl-diphenyl-λ4-sulfane is CC=CC=CC(C)S(C)(c1ccccc1)c1ccccc1.
What is the InChIKey of hepta-3,5-dien-2-yl-methyl-diphenyl-λ4-sulfane?
The InChIKey is KOLHGNOULRUQBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24S/c1-4-5-8-13-18(2)21(3,19-14-9-6-10-15-19)20-16-11-7-12-17-20/h4-18H,1-3H3.
What are the key properties of hepta-3,5-dien-2-yl-methyl-diphenyl-λ4-sulfane?
hepta-3,5-dien-2-yl-methyl-diphenyl-λ4-sulfane has a molecular weight of 296.48 g/mol, XLogP of 6.06, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for hepta-3,5-dien-2-yl-methyl-diphenyl-λ4-sulfane is sourced from PubChem (CID 123752261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).