(Z)-3-ethyl-3-methyl-1-(3-methylhexan-3-ylsulfanyl)pent-1-ene

C15H30S — CID 89100890

IUPAC(Z)-3-ethyl-3-methyl-1-(3-methylhexan-3-ylsulfanyl)pent-1-ene
SMILESCCCC(C)(CC)S/C=C\C(C)(CC)CC
InChIInChI=1S/C15H30S/c1-7-11-15(6,10-4)16-13-12-14(5,8-2)9-3/h12-13H,7-11H2,1-6H3/b13-12-
InChIKeyWRTDJFYDDMYUEU-SEYXRHQNSA-N
MW242.47 g/mol
LogP6.03
Rot. Bonds8

About (Z)-3-ethyl-3-methyl-1-(3-methylhexan-3-ylsulfanyl)pent-1-ene

(Z)-3-ethyl-3-methyl-1-(3-methylhexan-3-ylsulfanyl)pent-1-ene (PubChem CID 89100890) has the molecular formula C15H30S and a molecular weight of 242.47 g/mol. Its IUPAC name is (Z)-3-ethyl-3-methyl-1-(3-methylhexan-3-ylsulfanyl)pent-1-ene.

Molecular Properties

Compound Name(Z)-3-ethyl-3-methyl-1-(3-methylhexan-3-ylsulfanyl)pent-1-ene
PubChem CID89100890
Molecular FormulaC15H30S
Molecular Weight242.47 g/mol
Exact Mass242.21
IUPAC Name(Z)-3-ethyl-3-methyl-1-(3-methylhexan-3-ylsulfanyl)pent-1-ene
SMILESCCCC(C)(CC)S/C=C\C(C)(CC)CC
InChIInChI=1S/C15H30S/c1-7-11-15(6,10-4)16-13-12-14(5,8-2)9-3/h12-13H,7-11H2,1-6H3/b13-12-
InChIKeyWRTDJFYDDMYUEU-SEYXRHQNSA-N
XLogP6.03
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500242.47
LogP ≤ 56.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (Z)-3-ethyl-3-methyl-1-(3-methylhexan-3-ylsulfanyl)pent-1-ene?
The IUPAC name of (Z)-3-ethyl-3-methyl-1-(3-methylhexan-3-ylsulfanyl)pent-1-ene (CID 89100890) is (Z)-3-ethyl-3-methyl-1-(3-methylhexan-3-ylsulfanyl)pent-1-ene.
What is the SMILES notation for (Z)-3-ethyl-3-methyl-1-(3-methylhexan-3-ylsulfanyl)pent-1-ene?
The canonical SMILES for (Z)-3-ethyl-3-methyl-1-(3-methylhexan-3-ylsulfanyl)pent-1-ene is CCCC(C)(CC)S/C=C\C(C)(CC)CC.
What is the InChIKey of (Z)-3-ethyl-3-methyl-1-(3-methylhexan-3-ylsulfanyl)pent-1-ene?
The InChIKey is WRTDJFYDDMYUEU-SEYXRHQNSA-N. The full InChI is InChI=1S/C15H30S/c1-7-11-15(6,10-4)16-13-12-14(5,8-2)9-3/h12-13H,7-11H2,1-6H3/b13-12-.
What are the key properties of (Z)-3-ethyl-3-methyl-1-(3-methylhexan-3-ylsulfanyl)pent-1-ene?
(Z)-3-ethyl-3-methyl-1-(3-methylhexan-3-ylsulfanyl)pent-1-ene has a molecular weight of 242.47 g/mol, XLogP of 6.03, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-ethyl-3-methyl-1-(3-methylhexan-3-ylsulfanyl)pent-1-ene is sourced from PubChem (CID 89100890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).