3-hept-2-en-3-ylsulfanylhept-2-ene

C14H26S — CID 54459444

IUPAC3-hept-2-en-3-ylsulfanylhept-2-ene
SMILESCC=C(CCCC)SC(=CC)CCCC
InChIInChI=1S/C14H26S/c1-5-9-11-13(7-3)15-14(8-4)12-10-6-2/h7-8H,5-6,9-12H2,1-4H3
InChIKeyXAORSVYYSGMJBX-UHFFFAOYSA-N
MW226.43 g/mol
LogP5.91
Rot. Bonds8

About 3-hept-2-en-3-ylsulfanylhept-2-ene

3-hept-2-en-3-ylsulfanylhept-2-ene (PubChem CID 54459444) has the molecular formula C14H26S and a molecular weight of 226.43 g/mol. Its IUPAC name is 3-hept-2-en-3-ylsulfanylhept-2-ene.

Molecular Properties

Compound Name3-hept-2-en-3-ylsulfanylhept-2-ene
PubChem CID54459444
Molecular FormulaC14H26S
Molecular Weight226.43 g/mol
Exact Mass226.18
IUPAC Name3-hept-2-en-3-ylsulfanylhept-2-ene
SMILESCC=C(CCCC)SC(=CC)CCCC
InChIInChI=1S/C14H26S/c1-5-9-11-13(7-3)15-14(8-4)12-10-6-2/h7-8H,5-6,9-12H2,1-4H3
InChIKeyXAORSVYYSGMJBX-UHFFFAOYSA-N
XLogP5.91
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500226.43
LogP ≤ 55.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-hept-2-en-3-ylsulfanylhept-2-ene?
The IUPAC name of 3-hept-2-en-3-ylsulfanylhept-2-ene (CID 54459444) is 3-hept-2-en-3-ylsulfanylhept-2-ene.
What is the SMILES notation for 3-hept-2-en-3-ylsulfanylhept-2-ene?
The canonical SMILES for 3-hept-2-en-3-ylsulfanylhept-2-ene is CC=C(CCCC)SC(=CC)CCCC.
What is the InChIKey of 3-hept-2-en-3-ylsulfanylhept-2-ene?
The InChIKey is XAORSVYYSGMJBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26S/c1-5-9-11-13(7-3)15-14(8-4)12-10-6-2/h7-8H,5-6,9-12H2,1-4H3.
What are the key properties of 3-hept-2-en-3-ylsulfanylhept-2-ene?
3-hept-2-en-3-ylsulfanylhept-2-ene has a molecular weight of 226.43 g/mol, XLogP of 5.91, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hept-2-en-3-ylsulfanylhept-2-ene is sourced from PubChem (CID 54459444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).