(5Z)-3-ethyl-3,4,4-trimethyl-5-methylsulfanyl-2-prop-1-en-2-ylsulfanylhepta-1,5-diene

C16H28S2 — CID 118347437

IUPAC(5Z)-3-ethyl-3,4,4-trimethyl-5-methylsulfanyl-2-prop-1-en-2-ylsulfanylhepta-1,5-diene
SMILESC=C(C)SC(=C)C(C)(CC)C(C)(C)/C(=C/C)SC
InChIInChI=1S/C16H28S2/c1-10-14(17-9)15(6,7)16(8,11-2)13(5)18-12(3)4/h10H,3,5,11H2,1-2,4,6-9H3/b14-10-
InChIKeyXIUNKJOYQLRNCM-UVTDQMKNSA-N
MW284.53 g/mol
LogP6.48
Rot. Bonds7

About (5Z)-3-ethyl-3,4,4-trimethyl-5-methylsulfanyl-2-prop-1-en-2-ylsulfanylhepta-1,5-diene

(5Z)-3-ethyl-3,4,4-trimethyl-5-methylsulfanyl-2-prop-1-en-2-ylsulfanylhepta-1,5-diene (PubChem CID 118347437) has the molecular formula C16H28S2 and a molecular weight of 284.53 g/mol. Its IUPAC name is (5Z)-3-ethyl-3,4,4-trimethyl-5-methylsulfanyl-2-prop-1-en-2-ylsulfanylhepta-1,5-diene.

Molecular Properties

Compound Name(5Z)-3-ethyl-3,4,4-trimethyl-5-methylsulfanyl-2-prop-1-en-2-ylsulfanylhepta-1,5-diene
PubChem CID118347437
Molecular FormulaC16H28S2
Molecular Weight284.53 g/mol
Exact Mass284.16
IUPAC Name(5Z)-3-ethyl-3,4,4-trimethyl-5-methylsulfanyl-2-prop-1-en-2-ylsulfanylhepta-1,5-diene
SMILESC=C(C)SC(=C)C(C)(CC)C(C)(C)/C(=C/C)SC
InChIInChI=1S/C16H28S2/c1-10-14(17-9)15(6,7)16(8,11-2)13(5)18-12(3)4/h10H,3,5,11H2,1-2,4,6-9H3/b14-10-
InChIKeyXIUNKJOYQLRNCM-UVTDQMKNSA-N
XLogP6.48
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500284.53
LogP ≤ 56.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5Z)-3-ethyl-3,4,4-trimethyl-5-methylsulfanyl-2-prop-1-en-2-ylsulfanylhepta-1,5-diene?
The IUPAC name of (5Z)-3-ethyl-3,4,4-trimethyl-5-methylsulfanyl-2-prop-1-en-2-ylsulfanylhepta-1,5-diene (CID 118347437) is (5Z)-3-ethyl-3,4,4-trimethyl-5-methylsulfanyl-2-prop-1-en-2-ylsulfanylhepta-1,5-diene.
What is the SMILES notation for (5Z)-3-ethyl-3,4,4-trimethyl-5-methylsulfanyl-2-prop-1-en-2-ylsulfanylhepta-1,5-diene?
The canonical SMILES for (5Z)-3-ethyl-3,4,4-trimethyl-5-methylsulfanyl-2-prop-1-en-2-ylsulfanylhepta-1,5-diene is C=C(C)SC(=C)C(C)(CC)C(C)(C)/C(=C/C)SC.
What is the InChIKey of (5Z)-3-ethyl-3,4,4-trimethyl-5-methylsulfanyl-2-prop-1-en-2-ylsulfanylhepta-1,5-diene?
The InChIKey is XIUNKJOYQLRNCM-UVTDQMKNSA-N. The full InChI is InChI=1S/C16H28S2/c1-10-14(17-9)15(6,7)16(8,11-2)13(5)18-12(3)4/h10H,3,5,11H2,1-2,4,6-9H3/b14-10-.
What are the key properties of (5Z)-3-ethyl-3,4,4-trimethyl-5-methylsulfanyl-2-prop-1-en-2-ylsulfanylhepta-1,5-diene?
(5Z)-3-ethyl-3,4,4-trimethyl-5-methylsulfanyl-2-prop-1-en-2-ylsulfanylhepta-1,5-diene has a molecular weight of 284.53 g/mol, XLogP of 6.48, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-3-ethyl-3,4,4-trimethyl-5-methylsulfanyl-2-prop-1-en-2-ylsulfanylhepta-1,5-diene is sourced from PubChem (CID 118347437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).