butane;(2E,4Z)-4-ethenyl-3-methylsulfanylhepta-2,4-diene

C14H26S — CID 145365968

IUPACbutane;(2E,4Z)-4-ethenyl-3-methylsulfanylhepta-2,4-diene
SMILESC=CC(=C/CC)/C(=C\C)SC.CCCC
InChIInChI=1S/C10H16S.C4H10/c1-5-8-9(6-2)10(7-3)11-4;1-3-4-2/h6-8H,2,5H2,1,3-4H3;3-4H2,1-2H3/b9-8-,10-7+;
InChIKeyIPWWILMCLIXLTP-ZTOBHTJDSA-N
MW226.43 g/mol
LogP5.58
Rot. Bonds5

About butane;(2E,4Z)-4-ethenyl-3-methylsulfanylhepta-2,4-diene

butane;(2E,4Z)-4-ethenyl-3-methylsulfanylhepta-2,4-diene (PubChem CID 145365968) has the molecular formula C14H26S and a molecular weight of 226.43 g/mol. Its IUPAC name is butane;(2E,4Z)-4-ethenyl-3-methylsulfanylhepta-2,4-diene.

Molecular Properties

Compound Namebutane;(2E,4Z)-4-ethenyl-3-methylsulfanylhepta-2,4-diene
PubChem CID145365968
Molecular FormulaC14H26S
Molecular Weight226.43 g/mol
Exact Mass226.18
IUPAC Namebutane;(2E,4Z)-4-ethenyl-3-methylsulfanylhepta-2,4-diene
SMILESC=CC(=C/CC)/C(=C\C)SC.CCCC
InChIInChI=1S/C10H16S.C4H10/c1-5-8-9(6-2)10(7-3)11-4;1-3-4-2/h6-8H,2,5H2,1,3-4H3;3-4H2,1-2H3/b9-8-,10-7+;
InChIKeyIPWWILMCLIXLTP-ZTOBHTJDSA-N
XLogP5.58
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500226.43
LogP ≤ 55.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(4Z)-4-ethenyl-3-propan-2-ylidenehepta-1,4-diene
CID 145153838
(3E,4E)-3-ethylidene-4-methylhepta-1,4-diene
CID 143688525
(E)-2-ethenyl-N-ethylpent-2-enamide
CID 156641185
ethane;methyl (E)-2-ethenylpent-2-enoate
CID 142289174
3-penta-1,3-dien-3-ylhexa-1,3-dien-1-one
CID 141087599
(E)-3-ethenyl-2-oxohex-3-enal
CID 143240518
3-ethenyl-2-ethoxyhexa-1,3-diene
CID 123543199
(2Z,4E)-4-methylsulfanylhepta-2,4-diene
CID 89346881
(Z)-2-ethenylsulfanylpent-2-ene
CID 142149125
butane;bis(but-1-ene)
CID 160596310
(3E)-5-chloro-3-methylsulfanylpenta-1,3-diene
CID 163553317
3-methylsulfanylhex-3-ene
CID 141088508

Frequently Asked Questions

What is the IUPAC name of butane;(2E,4Z)-4-ethenyl-3-methylsulfanylhepta-2,4-diene?
The IUPAC name of butane;(2E,4Z)-4-ethenyl-3-methylsulfanylhepta-2,4-diene (CID 145365968) is butane;(2E,4Z)-4-ethenyl-3-methylsulfanylhepta-2,4-diene.
What is the SMILES notation for butane;(2E,4Z)-4-ethenyl-3-methylsulfanylhepta-2,4-diene?
The canonical SMILES for butane;(2E,4Z)-4-ethenyl-3-methylsulfanylhepta-2,4-diene is C=CC(=C/CC)/C(=C\C)SC.CCCC.
What is the InChIKey of butane;(2E,4Z)-4-ethenyl-3-methylsulfanylhepta-2,4-diene?
The InChIKey is IPWWILMCLIXLTP-ZTOBHTJDSA-N. The full InChI is InChI=1S/C10H16S.C4H10/c1-5-8-9(6-2)10(7-3)11-4;1-3-4-2/h6-8H,2,5H2,1,3-4H3;3-4H2,1-2H3/b9-8-,10-7+;.
What are the key properties of butane;(2E,4Z)-4-ethenyl-3-methylsulfanylhepta-2,4-diene?
butane;(2E,4Z)-4-ethenyl-3-methylsulfanylhepta-2,4-diene has a molecular weight of 226.43 g/mol, XLogP of 5.58, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for butane;(2E,4Z)-4-ethenyl-3-methylsulfanylhepta-2,4-diene is sourced from PubChem (CID 145365968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).