(Z)-3,4,6-trimethyl-1-methylsulfanylhept-1-ene

C11H22S — CID 89223127

IUPAC(Z)-3,4,6-trimethyl-1-methylsulfanylhept-1-ene
SMILESCS/C=C\C(C)C(C)CC(C)C
InChIInChI=1S/C11H22S/c1-9(2)8-11(4)10(3)6-7-12-5/h6-7,9-11H,8H2,1-5H3/b7-6-
InChIKeyBHXYBTYBAXNEFL-SREVYHEPSA-N
MW186.36 g/mol
LogP4.18
Rot. Bonds5

About (Z)-3,4,6-trimethyl-1-methylsulfanylhept-1-ene

(Z)-3,4,6-trimethyl-1-methylsulfanylhept-1-ene (PubChem CID 89223127) has the molecular formula C11H22S and a molecular weight of 186.36 g/mol. Its IUPAC name is (Z)-3,4,6-trimethyl-1-methylsulfanylhept-1-ene.

Molecular Properties

Compound Name(Z)-3,4,6-trimethyl-1-methylsulfanylhept-1-ene
PubChem CID89223127
Molecular FormulaC11H22S
Molecular Weight186.36 g/mol
Exact Mass186.14
IUPAC Name(Z)-3,4,6-trimethyl-1-methylsulfanylhept-1-ene
SMILESCS/C=C\C(C)C(C)CC(C)C
InChIInChI=1S/C11H22S/c1-9(2)8-11(4)10(3)6-7-12-5/h6-7,9-11H,8H2,1-5H3/b7-6-
InChIKeyBHXYBTYBAXNEFL-SREVYHEPSA-N
XLogP4.18
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.36
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

[(E)-2-methylsulfanylethenyl]cyclohexane
CID 134986023
6-Fluoro-3,6-dimethyl-5-(methylsulfanylmethyl)hept-1-ene
CID 123687972
(2R)-1-fluoro-2,3-dimethylhept-6-ene-1-thiol
CID 163638496
(3S,4S,5S)-3,4-dimethyl-5-methylsulfanylnon-1-ene
CID 10910550
2-Butyl-4-pentenethiol
CID 129783071
[(Z)-2-methylsulfanylethenyl]cyclohexane
CID 134933564
(4S,5S)-4-methyl-5-methylsulfanylhex-1-ene
CID 134980226
1,3-bis[(E)-2-methylsulfanylethenyl]cyclopentane
CID 138985190
1-ethenyl-3-[(E)-2-methylsulfanylethenyl]cyclopentane
CID 138985191
2,4,6-Trimethyloct-7-ene-1-thiol
CID 20298660
3,4-Bis(ethenyl)hexane-2,5-dithiol
CID 20581910
3-Ethyl-2-propyl-2,3-dihydrothiophene
CID 53699979

Frequently Asked Questions

What is the IUPAC name of (Z)-3,4,6-trimethyl-1-methylsulfanylhept-1-ene?
The IUPAC name of (Z)-3,4,6-trimethyl-1-methylsulfanylhept-1-ene (CID 89223127) is (Z)-3,4,6-trimethyl-1-methylsulfanylhept-1-ene.
What is the SMILES notation for (Z)-3,4,6-trimethyl-1-methylsulfanylhept-1-ene?
The canonical SMILES for (Z)-3,4,6-trimethyl-1-methylsulfanylhept-1-ene is CS/C=C\C(C)C(C)CC(C)C.
What is the InChIKey of (Z)-3,4,6-trimethyl-1-methylsulfanylhept-1-ene?
The InChIKey is BHXYBTYBAXNEFL-SREVYHEPSA-N. The full InChI is InChI=1S/C11H22S/c1-9(2)8-11(4)10(3)6-7-12-5/h6-7,9-11H,8H2,1-5H3/b7-6-.
What are the key properties of (Z)-3,4,6-trimethyl-1-methylsulfanylhept-1-ene?
(Z)-3,4,6-trimethyl-1-methylsulfanylhept-1-ene has a molecular weight of 186.36 g/mol, XLogP of 4.18, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3,4,6-trimethyl-1-methylsulfanylhept-1-ene is sourced from PubChem (CID 89223127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).