(4Z)-2-ethenyl-6-ethyl-3,5-dimethyl-4-propylidenethiepane

C15H26S — CID 139564611

IUPAC(4Z)-2-ethenyl-6-ethyl-3,5-dimethyl-4-propylidenethiepane
SMILESC=CC1SCC(CC)C(C)/C(=C/CC)C1C
InChIInChI=1S/C15H26S/c1-6-9-14-11(4)13(7-2)10-16-15(8-3)12(14)5/h8-9,11-13,15H,3,6-7,10H2,1-2,4-5H3/b14-9-
InChIKeyPYNURAAJLBCFJO-ZROIWOOFSA-N
MW238.44 g/mol
LogP4.92
Rot. Bonds3

About (4Z)-2-ethenyl-6-ethyl-3,5-dimethyl-4-propylidenethiepane

(4Z)-2-ethenyl-6-ethyl-3,5-dimethyl-4-propylidenethiepane (PubChem CID 139564611) has the molecular formula C15H26S and a molecular weight of 238.44 g/mol. Its IUPAC name is (4Z)-2-ethenyl-6-ethyl-3,5-dimethyl-4-propylidenethiepane.

Molecular Properties

Compound Name(4Z)-2-ethenyl-6-ethyl-3,5-dimethyl-4-propylidenethiepane
PubChem CID139564611
Molecular FormulaC15H26S
Molecular Weight238.44 g/mol
Exact Mass238.18
IUPAC Name(4Z)-2-ethenyl-6-ethyl-3,5-dimethyl-4-propylidenethiepane
SMILESC=CC1SCC(CC)C(C)/C(=C/CC)C1C
InChIInChI=1S/C15H26S/c1-6-9-14-11(4)13(7-2)10-16-15(8-3)12(14)5/h8-9,11-13,15H,3,6-7,10H2,1-2,4-5H3/b14-9-
InChIKeyPYNURAAJLBCFJO-ZROIWOOFSA-N
XLogP4.92
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.44
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4,7,7-Trimethyl-6-thiabicyclo[3.2.1]oct-3-ene
CID 110922
Methyl(2-(4-methylcyclohex-3-en-1-yl)propyl)sulfane
CID 134128395
1-Isopropyl-4-methyl-3,4-bis(methylthio)-1-cyclohexene
CID 375769
4-(1-Fluoro-2-methylprop-1-enyl)-3-methyl-8-propylsulfanyloct-1-ene
CID 166651444
4,7-Di(methylthio)menth-1-ene
CID 129882097
3-[(2R)-2,6-dimethylhept-5-enyl]-2-thiabicyclo[2.2.1]hept-5-ene
CID 134925316
(2R,3R,6R)-3-ethenyl-2-[(E)-pent-1-enyl]-6-propan-2-ylthiane
CID 134945755
Cyclohexene, 1-methyl-4-[1-methyl-1,2-bis-(methylthio)ethyl]
CID 524121
3-Ethylsulfanyl-3-methyl-6-propan-2-ylcyclohexene
CID 10559892
1,2,4a,6,7,7a,11a,11b-Octahydrobenzo[d][1]benzothiepine
CID 53712380
5-Methylidene-3-(2-methylpropyl)thiepane
CID 54055854
1-Ethylsulfanyl-3,7,11,15-tetramethylhexadec-2-ene
CID 54270450

Frequently Asked Questions

What is the IUPAC name of (4Z)-2-ethenyl-6-ethyl-3,5-dimethyl-4-propylidenethiepane?
The IUPAC name of (4Z)-2-ethenyl-6-ethyl-3,5-dimethyl-4-propylidenethiepane (CID 139564611) is (4Z)-2-ethenyl-6-ethyl-3,5-dimethyl-4-propylidenethiepane.
What is the SMILES notation for (4Z)-2-ethenyl-6-ethyl-3,5-dimethyl-4-propylidenethiepane?
The canonical SMILES for (4Z)-2-ethenyl-6-ethyl-3,5-dimethyl-4-propylidenethiepane is C=CC1SCC(CC)C(C)/C(=C/CC)C1C.
What is the InChIKey of (4Z)-2-ethenyl-6-ethyl-3,5-dimethyl-4-propylidenethiepane?
The InChIKey is PYNURAAJLBCFJO-ZROIWOOFSA-N. The full InChI is InChI=1S/C15H26S/c1-6-9-14-11(4)13(7-2)10-16-15(8-3)12(14)5/h8-9,11-13,15H,3,6-7,10H2,1-2,4-5H3/b14-9-.
What are the key properties of (4Z)-2-ethenyl-6-ethyl-3,5-dimethyl-4-propylidenethiepane?
(4Z)-2-ethenyl-6-ethyl-3,5-dimethyl-4-propylidenethiepane has a molecular weight of 238.44 g/mol, XLogP of 4.92, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-2-ethenyl-6-ethyl-3,5-dimethyl-4-propylidenethiepane is sourced from PubChem (CID 139564611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).