6-[(Z)-2-phenylethenyl]sulfanylhexan-2-one

C14H18OS — CID 10561697

IUPAC6-[(Z)-2-phenylethenyl]sulfanylhexan-2-one
SMILESCC(=O)CCCCS/C=C\c1ccccc1
InChIInChI=1S/C14H18OS/c1-13(15)7-5-6-11-16-12-10-14-8-3-2-4-9-14/h2-4,8-10,12H,5-7,11H2,1H3/b12-10-
InChIKeyMHVSVTXVHNBDFA-BENRWUELSA-N
MW234.36 g/mol
LogP4.15
Rot. Bonds7

About 6-[(Z)-2-phenylethenyl]sulfanylhexan-2-one

6-[(Z)-2-phenylethenyl]sulfanylhexan-2-one (PubChem CID 10561697) has the molecular formula C14H18OS and a molecular weight of 234.36 g/mol. Its IUPAC name is 6-[(Z)-2-phenylethenyl]sulfanylhexan-2-one.

Molecular Properties

Compound Name6-[(Z)-2-phenylethenyl]sulfanylhexan-2-one
PubChem CID10561697
Molecular FormulaC14H18OS
Molecular Weight234.36 g/mol
Exact Mass234.11
IUPAC Name6-[(Z)-2-phenylethenyl]sulfanylhexan-2-one
SMILESCC(=O)CCCCS/C=C\c1ccccc1
InChIInChI=1S/C14H18OS/c1-13(15)7-5-6-11-16-12-10-14-8-3-2-4-9-14/h2-4,8-10,12H,5-7,11H2,1H3/b12-10-
InChIKeyMHVSVTXVHNBDFA-BENRWUELSA-N
XLogP4.15
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.36
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

7-phenylhept-6-en-2-one
CID 582607
5-[2-[2-[(E)-2-phenylethenyl]phenyl]phenyl]pentan-2-one
CID 141453211
acetic acid;stilbene
CID 172803728
benzaldehyde;ethane;hexan-2-one
CID 145294452
1-phenylheptane-1,6-dione
CID 11333176
(2E)-2-benzylidene-5-oxohexanoic acid
CID 134845903
(4E)-1,5-diphenylpenta-1,4-dien-3-one;propan-2-one
CID 158678637
1-phenyldodecane-1,11-dione
CID 13147766
5-phenylpentan-2-one
CID 16701
[(Z)-2-phenylethenyl] hexadecanoate
CID 177448734
N-(3-phenylprop-2-enyl)hexanamide
CID 54485378
[(Z)-2-(2,2,2-trifluoroethylsulfanyl)ethenyl]benzene
CID 101442160

Frequently Asked Questions

What is the IUPAC name of 6-[(Z)-2-phenylethenyl]sulfanylhexan-2-one?
The IUPAC name of 6-[(Z)-2-phenylethenyl]sulfanylhexan-2-one (CID 10561697) is 6-[(Z)-2-phenylethenyl]sulfanylhexan-2-one.
What is the SMILES notation for 6-[(Z)-2-phenylethenyl]sulfanylhexan-2-one?
The canonical SMILES for 6-[(Z)-2-phenylethenyl]sulfanylhexan-2-one is CC(=O)CCCCS/C=C\c1ccccc1.
What is the InChIKey of 6-[(Z)-2-phenylethenyl]sulfanylhexan-2-one?
The InChIKey is MHVSVTXVHNBDFA-BENRWUELSA-N. The full InChI is InChI=1S/C14H18OS/c1-13(15)7-5-6-11-16-12-10-14-8-3-2-4-9-14/h2-4,8-10,12H,5-7,11H2,1H3/b12-10-.
What are the key properties of 6-[(Z)-2-phenylethenyl]sulfanylhexan-2-one?
6-[(Z)-2-phenylethenyl]sulfanylhexan-2-one has a molecular weight of 234.36 g/mol, XLogP of 4.15, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(Z)-2-phenylethenyl]sulfanylhexan-2-one is sourced from PubChem (CID 10561697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).