[(Z)-1-methylsulfanylhept-1-en-2-yl]benzene

C14H20S — CID 11672996

IUPAC[(Z)-1-methylsulfanylhept-1-en-2-yl]benzene
SMILESCCCCC/C(=C/SC)c1ccccc1
InChIInChI=1S/C14H20S/c1-3-4-6-11-14(12-15-2)13-9-7-5-8-10-13/h5,7-10,12H,3-4,6,11H2,1-2H3/b14-12-
InChIKeyVIKPBCQFKFOQFM-OWBHPGMISA-N
MW220.38 g/mol
LogP4.97
Rot. Bonds6

About [(Z)-1-methylsulfanylhept-1-en-2-yl]benzene

[(Z)-1-methylsulfanylhept-1-en-2-yl]benzene (PubChem CID 11672996) has the molecular formula C14H20S and a molecular weight of 220.38 g/mol. Its IUPAC name is [(Z)-1-methylsulfanylhept-1-en-2-yl]benzene.

Molecular Properties

Compound Name[(Z)-1-methylsulfanylhept-1-en-2-yl]benzene
PubChem CID11672996
Molecular FormulaC14H20S
Molecular Weight220.38 g/mol
Exact Mass220.13
IUPAC Name[(Z)-1-methylsulfanylhept-1-en-2-yl]benzene
SMILESCCCCC/C(=C/SC)c1ccccc1
InChIInChI=1S/C14H20S/c1-3-4-6-11-14(12-15-2)13-9-7-5-8-10-13/h5,7-10,12H,3-4,6,11H2,1-2H3/b14-12-
InChIKeyVIKPBCQFKFOQFM-OWBHPGMISA-N
XLogP4.97
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.38
LogP ≤ 54.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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CID 101008148
[(Z)-1-methylsulfanylbut-1-en-2-yl]benzene
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[(E)-hept-2-en-3-yl]benzene
CID 14568345
[(Z)-1-methoxytridec-1-en-2-yl]benzene
CID 101375240
8-phenyltetradec-7-en-7-ylbenzene
CID 141438246
[(E)-1-phenylhex-1-en-2-yl]benzene
CID 11791205
(2-hexyl-1-iodo-4-phenyldeca-1,3-dienyl)-trimethylsilane
CID 71417747
(2E)-2-(methylsulfanylmethylidene)-N-phenyldodecanamide
CID 15687754
[(E)-4-phenyldec-3-enoxy]methylbenzene
CID 11141829
(2-methyl-1-phenylhept-1-enyl)benzene
CID 173231724
1-phenylheptadecan-1-one
CID 577626
1,1-difluorohept-1-en-2-ylbenzene
CID 10954812

Frequently Asked Questions

What is the IUPAC name of [(Z)-1-methylsulfanylhept-1-en-2-yl]benzene?
The IUPAC name of [(Z)-1-methylsulfanylhept-1-en-2-yl]benzene (CID 11672996) is [(Z)-1-methylsulfanylhept-1-en-2-yl]benzene.
What is the SMILES notation for [(Z)-1-methylsulfanylhept-1-en-2-yl]benzene?
The canonical SMILES for [(Z)-1-methylsulfanylhept-1-en-2-yl]benzene is CCCCC/C(=C/SC)c1ccccc1.
What is the InChIKey of [(Z)-1-methylsulfanylhept-1-en-2-yl]benzene?
The InChIKey is VIKPBCQFKFOQFM-OWBHPGMISA-N. The full InChI is InChI=1S/C14H20S/c1-3-4-6-11-14(12-15-2)13-9-7-5-8-10-13/h5,7-10,12H,3-4,6,11H2,1-2H3/b14-12-.
What are the key properties of [(Z)-1-methylsulfanylhept-1-en-2-yl]benzene?
[(Z)-1-methylsulfanylhept-1-en-2-yl]benzene has a molecular weight of 220.38 g/mol, XLogP of 4.97, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-1-methylsulfanylhept-1-en-2-yl]benzene is sourced from PubChem (CID 11672996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).