(Z)-1-[(Z)-hex-3-enoxy]-1-methylsulfanylhex-3-ene

C13H24OS — CID 88671928

IUPAC(Z)-1-[(Z)-hex-3-enoxy]-1-methylsulfanylhex-3-ene
SMILESCC/C=C\CCOC(C/C=C\CC)SC
InChIInChI=1S/C13H24OS/c1-4-6-8-10-12-14-13(15-3)11-9-7-5-2/h6-9,13H,4-5,10-12H2,1-3H3/b8-6-,9-7-
InChIKeyNOFRPKDQVXOXNO-VRHVFUOLSA-N
MW228.40 g/mol
LogP4.40
Rot. Bonds9

About (Z)-1-[(Z)-hex-3-enoxy]-1-methylsulfanylhex-3-ene

(Z)-1-[(Z)-hex-3-enoxy]-1-methylsulfanylhex-3-ene (PubChem CID 88671928) has the molecular formula C13H24OS and a molecular weight of 228.40 g/mol. Its IUPAC name is (Z)-1-[(Z)-hex-3-enoxy]-1-methylsulfanylhex-3-ene.

Molecular Properties

Compound Name(Z)-1-[(Z)-hex-3-enoxy]-1-methylsulfanylhex-3-ene
PubChem CID88671928
Molecular FormulaC13H24OS
Molecular Weight228.40 g/mol
Exact Mass228.15
IUPAC Name(Z)-1-[(Z)-hex-3-enoxy]-1-methylsulfanylhex-3-ene
SMILESCC/C=C\CCOC(C/C=C\CC)SC
InChIInChI=1S/C13H24OS/c1-4-6-8-10-12-14-13(15-3)11-9-7-5-2/h6-9,13H,4-5,10-12H2,1-3H3/b8-6-,9-7-
InChIKeyNOFRPKDQVXOXNO-VRHVFUOLSA-N
XLogP4.40
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.40
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (Z)-1-[(Z)-hex-3-enoxy]-1-methylsulfanylhex-3-ene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (Z)-1-[(Z)-hex-3-enoxy]-1-methylsulfanylhex-3-ene?
The IUPAC name of (Z)-1-[(Z)-hex-3-enoxy]-1-methylsulfanylhex-3-ene (CID 88671928) is (Z)-1-[(Z)-hex-3-enoxy]-1-methylsulfanylhex-3-ene.
What is the SMILES notation for (Z)-1-[(Z)-hex-3-enoxy]-1-methylsulfanylhex-3-ene?
The canonical SMILES for (Z)-1-[(Z)-hex-3-enoxy]-1-methylsulfanylhex-3-ene is CC/C=C\CCOC(C/C=C\CC)SC.
What is the InChIKey of (Z)-1-[(Z)-hex-3-enoxy]-1-methylsulfanylhex-3-ene?
The InChIKey is NOFRPKDQVXOXNO-VRHVFUOLSA-N. The full InChI is InChI=1S/C13H24OS/c1-4-6-8-10-12-14-13(15-3)11-9-7-5-2/h6-9,13H,4-5,10-12H2,1-3H3/b8-6-,9-7-.
What are the key properties of (Z)-1-[(Z)-hex-3-enoxy]-1-methylsulfanylhex-3-ene?
(Z)-1-[(Z)-hex-3-enoxy]-1-methylsulfanylhex-3-ene has a molecular weight of 228.40 g/mol, XLogP of 4.40, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-[(Z)-hex-3-enoxy]-1-methylsulfanylhex-3-ene is sourced from PubChem (CID 88671928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).