(E)-1-[(E)-hex-1-enyl]sulfanylhex-1-ene

C12H22S — CID 10241857

IUPAC(E)-1-[(E)-hex-1-enyl]sulfanylhex-1-ene
SMILESCCCC/C=C/S/C=C/CCCC
InChIInChI=1S/C12H22S/c1-3-5-7-9-11-13-12-10-8-6-4-2/h9-12H,3-8H2,1-2H3/b11-9+,12-10+
InChIKeyAEWPTSXBECCQJP-WGDLNXRISA-N
MW198.38 g/mol
LogP5.13
Rot. Bonds8

About (E)-1-[(E)-hex-1-enyl]sulfanylhex-1-ene

(E)-1-[(E)-hex-1-enyl]sulfanylhex-1-ene (PubChem CID 10241857) has the molecular formula C12H22S and a molecular weight of 198.38 g/mol. Its IUPAC name is (E)-1-[(E)-hex-1-enyl]sulfanylhex-1-ene.

Molecular Properties

Compound Name(E)-1-[(E)-hex-1-enyl]sulfanylhex-1-ene
PubChem CID10241857
Molecular FormulaC12H22S
Molecular Weight198.38 g/mol
Exact Mass198.14
IUPAC Name(E)-1-[(E)-hex-1-enyl]sulfanylhex-1-ene
SMILESCCCC/C=C/S/C=C/CCCC
InChIInChI=1S/C12H22S/c1-3-5-7-9-11-13-12-10-8-6-4-2/h9-12H,3-8H2,1-2H3/b11-9+,12-10+
InChIKeyAEWPTSXBECCQJP-WGDLNXRISA-N
XLogP5.13
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500198.38
LogP ≤ 55.13
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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Frequently Asked Questions

What is the IUPAC name of (E)-1-[(E)-hex-1-enyl]sulfanylhex-1-ene?
The IUPAC name of (E)-1-[(E)-hex-1-enyl]sulfanylhex-1-ene (CID 10241857) is (E)-1-[(E)-hex-1-enyl]sulfanylhex-1-ene.
What is the SMILES notation for (E)-1-[(E)-hex-1-enyl]sulfanylhex-1-ene?
The canonical SMILES for (E)-1-[(E)-hex-1-enyl]sulfanylhex-1-ene is CCCC/C=C/S/C=C/CCCC.
What is the InChIKey of (E)-1-[(E)-hex-1-enyl]sulfanylhex-1-ene?
The InChIKey is AEWPTSXBECCQJP-WGDLNXRISA-N. The full InChI is InChI=1S/C12H22S/c1-3-5-7-9-11-13-12-10-8-6-4-2/h9-12H,3-8H2,1-2H3/b11-9+,12-10+.
What are the key properties of (E)-1-[(E)-hex-1-enyl]sulfanylhex-1-ene?
(E)-1-[(E)-hex-1-enyl]sulfanylhex-1-ene has a molecular weight of 198.38 g/mol, XLogP of 5.13, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-[(E)-hex-1-enyl]sulfanylhex-1-ene is sourced from PubChem (CID 10241857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).