(E)-1-ethenylsulfanyl-2,4,4-trimethylpent-1-ene

C10H18S — CID 134456908

IUPAC(E)-1-ethenylsulfanyl-2,4,4-trimethylpent-1-ene
SMILESC=CS/C=C(\C)CC(C)(C)C
InChIInChI=1S/C10H18S/c1-6-11-8-9(2)7-10(3,4)5/h6,8H,1,7H2,2-5H3/b9-8+
InChIKeyBZEQTWDAWQBXRA-CMDGGOBGSA-N
MW170.32 g/mol
LogP4.20
Rot. Bonds3

About (E)-1-ethenylsulfanyl-2,4,4-trimethylpent-1-ene

(E)-1-ethenylsulfanyl-2,4,4-trimethylpent-1-ene (PubChem CID 134456908) has the molecular formula C10H18S and a molecular weight of 170.32 g/mol. Its IUPAC name is (E)-1-ethenylsulfanyl-2,4,4-trimethylpent-1-ene.

Molecular Properties

Compound Name(E)-1-ethenylsulfanyl-2,4,4-trimethylpent-1-ene
PubChem CID134456908
Molecular FormulaC10H18S
Molecular Weight170.32 g/mol
Exact Mass170.11
IUPAC Name(E)-1-ethenylsulfanyl-2,4,4-trimethylpent-1-ene
SMILESC=CS/C=C(\C)CC(C)(C)C
InChIInChI=1S/C10H18S/c1-6-11-8-9(2)7-10(3,4)5/h6,8H,1,7H2,2-5H3/b9-8+
InChIKeyBZEQTWDAWQBXRA-CMDGGOBGSA-N
XLogP4.20
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.32
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (E)-1-ethenylsulfanyl-2,4,4-trimethylpent-1-ene?
The IUPAC name of (E)-1-ethenylsulfanyl-2,4,4-trimethylpent-1-ene (CID 134456908) is (E)-1-ethenylsulfanyl-2,4,4-trimethylpent-1-ene.
What is the SMILES notation for (E)-1-ethenylsulfanyl-2,4,4-trimethylpent-1-ene?
The canonical SMILES for (E)-1-ethenylsulfanyl-2,4,4-trimethylpent-1-ene is C=CS/C=C(\C)CC(C)(C)C.
What is the InChIKey of (E)-1-ethenylsulfanyl-2,4,4-trimethylpent-1-ene?
The InChIKey is BZEQTWDAWQBXRA-CMDGGOBGSA-N. The full InChI is InChI=1S/C10H18S/c1-6-11-8-9(2)7-10(3,4)5/h6,8H,1,7H2,2-5H3/b9-8+.
What are the key properties of (E)-1-ethenylsulfanyl-2,4,4-trimethylpent-1-ene?
(E)-1-ethenylsulfanyl-2,4,4-trimethylpent-1-ene has a molecular weight of 170.32 g/mol, XLogP of 4.20, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-ethenylsulfanyl-2,4,4-trimethylpent-1-ene is sourced from PubChem (CID 134456908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).