(Z)-5,5-dimethyl-3-prop-1-en-2-ylsulfanylhex-2-ene

C11H20S — CID 170121658

IUPAC(Z)-5,5-dimethyl-3-prop-1-en-2-ylsulfanylhex-2-ene
SMILESC=C(C)S/C(=C\C)CC(C)(C)C
InChIInChI=1S/C11H20S/c1-7-10(12-9(2)3)8-11(4,5)6/h7H,2,8H2,1,3-6H3/b10-7-
InChIKeyCFYLESIIXXEYEZ-YFHOEESVSA-N
MW184.35 g/mol
LogP4.59
Rot. Bonds3

About (Z)-5,5-dimethyl-3-prop-1-en-2-ylsulfanylhex-2-ene

(Z)-5,5-dimethyl-3-prop-1-en-2-ylsulfanylhex-2-ene (PubChem CID 170121658) has the molecular formula C11H20S and a molecular weight of 184.35 g/mol. Its IUPAC name is (Z)-5,5-dimethyl-3-prop-1-en-2-ylsulfanylhex-2-ene.

Molecular Properties

Compound Name(Z)-5,5-dimethyl-3-prop-1-en-2-ylsulfanylhex-2-ene
PubChem CID170121658
Molecular FormulaC11H20S
Molecular Weight184.35 g/mol
Exact Mass184.13
IUPAC Name(Z)-5,5-dimethyl-3-prop-1-en-2-ylsulfanylhex-2-ene
SMILESC=C(C)S/C(=C\C)CC(C)(C)C
InChIInChI=1S/C11H20S/c1-7-10(12-9(2)3)8-11(4,5)6/h7H,2,8H2,1,3-6H3/b10-7-
InChIKeyCFYLESIIXXEYEZ-YFHOEESVSA-N
XLogP4.59
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.35
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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3-Hept-2-en-3-ylsulfanylhept-2-ene
CID 54459444
3,3-dimethyl-2-[[(Z)-pent-2-enyl]sulfanylmethyl]but-1-ene
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Frequently Asked Questions

What is the IUPAC name of (Z)-5,5-dimethyl-3-prop-1-en-2-ylsulfanylhex-2-ene?
The IUPAC name of (Z)-5,5-dimethyl-3-prop-1-en-2-ylsulfanylhex-2-ene (CID 170121658) is (Z)-5,5-dimethyl-3-prop-1-en-2-ylsulfanylhex-2-ene.
What is the SMILES notation for (Z)-5,5-dimethyl-3-prop-1-en-2-ylsulfanylhex-2-ene?
The canonical SMILES for (Z)-5,5-dimethyl-3-prop-1-en-2-ylsulfanylhex-2-ene is C=C(C)S/C(=C\C)CC(C)(C)C.
What is the InChIKey of (Z)-5,5-dimethyl-3-prop-1-en-2-ylsulfanylhex-2-ene?
The InChIKey is CFYLESIIXXEYEZ-YFHOEESVSA-N. The full InChI is InChI=1S/C11H20S/c1-7-10(12-9(2)3)8-11(4,5)6/h7H,2,8H2,1,3-6H3/b10-7-.
What are the key properties of (Z)-5,5-dimethyl-3-prop-1-en-2-ylsulfanylhex-2-ene?
(Z)-5,5-dimethyl-3-prop-1-en-2-ylsulfanylhex-2-ene has a molecular weight of 184.35 g/mol, XLogP of 4.59, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-5,5-dimethyl-3-prop-1-en-2-ylsulfanylhex-2-ene is sourced from PubChem (CID 170121658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).