(2Z,4E)-1-ethylsulfanyl-6-methylhepta-2,4-diene

C10H18S — CID 59977214

IUPAC(2Z,4E)-1-ethylsulfanyl-6-methylhepta-2,4-diene
SMILESCCSC/C=C\C=C\C(C)C
InChIInChI=1S/C10H18S/c1-4-11-9-7-5-6-8-10(2)3/h5-8,10H,4,9H2,1-3H3/b7-5-,8-6+
InChIKeyCSIOILGSPLLKTM-CGXWXWIYSA-N
MW170.32 g/mol
LogP3.51
Rot. Bonds5

About (2Z,4E)-1-ethylsulfanyl-6-methylhepta-2,4-diene

(2Z,4E)-1-ethylsulfanyl-6-methylhepta-2,4-diene (PubChem CID 59977214) has the molecular formula C10H18S and a molecular weight of 170.32 g/mol. Its IUPAC name is (2Z,4E)-1-ethylsulfanyl-6-methylhepta-2,4-diene.

Molecular Properties

Compound Name(2Z,4E)-1-ethylsulfanyl-6-methylhepta-2,4-diene
PubChem CID59977214
Molecular FormulaC10H18S
Molecular Weight170.32 g/mol
Exact Mass170.11
IUPAC Name(2Z,4E)-1-ethylsulfanyl-6-methylhepta-2,4-diene
SMILESCCSC/C=C\C=C\C(C)C
InChIInChI=1S/C10H18S/c1-4-11-9-7-5-6-8-10(2)3/h5-8,10H,4,9H2,1-3H3/b7-5-,8-6+
InChIKeyCSIOILGSPLLKTM-CGXWXWIYSA-N
XLogP3.51
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.32
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(3E,5Z)-5-ethylsulfanyl-6,7-dimethyl-3-(trifluoromethyl)octa-1,3,5-triene
CID 146633819
(3Z)-2-ethylsulfanyl-5-fluorohexa-1,3-diene
CID 155152751
(3E)-2-ethylsulfanyl-nona-1,3-diene
CID 24973966
1-Ethylthio-1,3-hexadiene
CID 85939659
2,7-Diisopropylthiepin
CID 129654671
2-Propenylpropylsulphide
CID 129719925
2-(Ethylthio)-6,10-dimethyl-1,3,5,9-undecatetraene
CID 129804243
(1Z,3E)-1-ethylsulfanylhexa-1,3-diene
CID 134981032
(3Z)-2-ethylsulfanylnona-1,3-diene
CID 134983242
Butyl furfuryl sulfide
CID 528325
Isobutyl furfuryl sulfide
CID 528331
(E)-1-[(E)-hex-3-enyl]sulfanylhex-3-ene
CID 101950019

Frequently Asked Questions

What is the IUPAC name of (2Z,4E)-1-ethylsulfanyl-6-methylhepta-2,4-diene?
The IUPAC name of (2Z,4E)-1-ethylsulfanyl-6-methylhepta-2,4-diene (CID 59977214) is (2Z,4E)-1-ethylsulfanyl-6-methylhepta-2,4-diene.
What is the SMILES notation for (2Z,4E)-1-ethylsulfanyl-6-methylhepta-2,4-diene?
The canonical SMILES for (2Z,4E)-1-ethylsulfanyl-6-methylhepta-2,4-diene is CCSC/C=C\C=C\C(C)C.
What is the InChIKey of (2Z,4E)-1-ethylsulfanyl-6-methylhepta-2,4-diene?
The InChIKey is CSIOILGSPLLKTM-CGXWXWIYSA-N. The full InChI is InChI=1S/C10H18S/c1-4-11-9-7-5-6-8-10(2)3/h5-8,10H,4,9H2,1-3H3/b7-5-,8-6+.
What are the key properties of (2Z,4E)-1-ethylsulfanyl-6-methylhepta-2,4-diene?
(2Z,4E)-1-ethylsulfanyl-6-methylhepta-2,4-diene has a molecular weight of 170.32 g/mol, XLogP of 3.51, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4E)-1-ethylsulfanyl-6-methylhepta-2,4-diene is sourced from PubChem (CID 59977214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).