(E)-ethylidene-fluoro-[(Z)-4-methylhex-1-enyl]-λ4-sulfane

C9H17FS — CID 123417811

IUPAC(E)-ethylidene-fluoro-[(Z)-4-methylhex-1-enyl]-λ4-sulfane
SMILESC/C=S(F)\C=C/CC(C)CC
InChIInChI=1S/C9H17FS/c1-4-9(3)7-6-8-11(10)5-2/h5-6,8-9H,4,7H2,1-3H3/b8-6-
InChIKeyGEDNEUKJVILKPI-VURMDHGXSA-N
MW176.30 g/mol
LogP3.91
Rot. Bonds4

About (E)-ethylidene-fluoro-[(Z)-4-methylhex-1-enyl]-λ4-sulfane

(E)-ethylidene-fluoro-[(Z)-4-methylhex-1-enyl]-λ4-sulfane (PubChem CID 123417811) has the molecular formula C9H17FS and a molecular weight of 176.30 g/mol. Its IUPAC name is (E)-ethylidene-fluoro-[(Z)-4-methylhex-1-enyl]-λ4-sulfane.

Molecular Properties

Compound Name(E)-ethylidene-fluoro-[(Z)-4-methylhex-1-enyl]-λ4-sulfane
PubChem CID123417811
Molecular FormulaC9H17FS
Molecular Weight176.30 g/mol
Exact Mass176.10
IUPAC Name(E)-ethylidene-fluoro-[(Z)-4-methylhex-1-enyl]-λ4-sulfane
SMILESC/C=S(F)\C=C/CC(C)CC
InChIInChI=1S/C9H17FS/c1-4-9(3)7-6-8-11(10)5-2/h5-6,8-9H,4,7H2,1-3H3/b8-6-
InChIKeyGEDNEUKJVILKPI-VURMDHGXSA-N
XLogP3.91
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.30
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thio_aldehyd_A(3)', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

(4S,5S)-4-methyl-5-methylsulfanylhex-1-ene
CID 134980226
4-Methyl-6-methylsulfanylhex-1-ene
CID 53759535
(Z)-4,6-dimethyl-1-methylsulfanylhept-1-ene
CID 89270962
4-Methyl-3-(methylsulfanylmethylidene)hex-1-ene
CID 90755448
Ethyl-(4-ethylhex-5-enylidene)-methyl-lambda4-sulfane
CID 91360372
4-Methyl-1-(4-methylhex-1-enyldisulfanyl)hex-1-ene
CID 91367361
(Z)-3-ethyl-1-propan-2-ylsulfanylpent-1-ene
CID 138484830
Trimethyl(3-methylhex-5-enyl)-lambda4-sulfane
CID 139332733
ethane;(Z)-3-methyl-1-methylsulfanylpent-1-ene
CID 144862299
Ethane;4-methyl-5-methylsulfanylhex-1-ene
CID 145359225
(4S,5R)-4-methyl-5-methylsulfanylhex-1-ene
CID 170379036
2-Prop-2-enylpent-4-enethial
CID 173459844

Frequently Asked Questions

What is the IUPAC name of (E)-ethylidene-fluoro-[(Z)-4-methylhex-1-enyl]-λ4-sulfane?
The IUPAC name of (E)-ethylidene-fluoro-[(Z)-4-methylhex-1-enyl]-λ4-sulfane (CID 123417811) is (E)-ethylidene-fluoro-[(Z)-4-methylhex-1-enyl]-λ4-sulfane.
What is the SMILES notation for (E)-ethylidene-fluoro-[(Z)-4-methylhex-1-enyl]-λ4-sulfane?
The canonical SMILES for (E)-ethylidene-fluoro-[(Z)-4-methylhex-1-enyl]-λ4-sulfane is C/C=S(F)\C=C/CC(C)CC.
What is the InChIKey of (E)-ethylidene-fluoro-[(Z)-4-methylhex-1-enyl]-λ4-sulfane?
The InChIKey is GEDNEUKJVILKPI-VURMDHGXSA-N. The full InChI is InChI=1S/C9H17FS/c1-4-9(3)7-6-8-11(10)5-2/h5-6,8-9H,4,7H2,1-3H3/b8-6-.
What are the key properties of (E)-ethylidene-fluoro-[(Z)-4-methylhex-1-enyl]-λ4-sulfane?
(E)-ethylidene-fluoro-[(Z)-4-methylhex-1-enyl]-λ4-sulfane has a molecular weight of 176.30 g/mol, XLogP of 3.91, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-ethylidene-fluoro-[(Z)-4-methylhex-1-enyl]-λ4-sulfane is sourced from PubChem (CID 123417811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).