4,4-dimethyl-6-methylsulfanylhex-1-ene;ethane

C11H24S — CID 142022954

IUPAC4,4-dimethyl-6-methylsulfanylhex-1-ene;ethane
SMILESC=CCC(C)(C)CCSC.CC
InChIInChI=1S/C9H18S.C2H6/c1-5-6-9(2,3)7-8-10-4;1-2/h5H,1,6-8H2,2-4H3;1-2H3
InChIKeyFPEGLUUMMSYIDV-UHFFFAOYSA-N
MW188.38 g/mol
LogP4.37
Rot. Bonds5

About 4,4-dimethyl-6-methylsulfanylhex-1-ene;ethane

4,4-dimethyl-6-methylsulfanylhex-1-ene;ethane (PubChem CID 142022954) has the molecular formula C11H24S and a molecular weight of 188.38 g/mol. Its IUPAC name is 4,4-dimethyl-6-methylsulfanylhex-1-ene;ethane.

Molecular Properties

Compound Name4,4-dimethyl-6-methylsulfanylhex-1-ene;ethane
PubChem CID142022954
Molecular FormulaC11H24S
Molecular Weight188.38 g/mol
Exact Mass188.16
IUPAC Name4,4-dimethyl-6-methylsulfanylhex-1-ene;ethane
SMILESC=CCC(C)(C)CCSC.CC
InChIInChI=1S/C9H18S.C2H6/c1-5-6-9(2,3)7-8-10-4;1-2/h5H,1,6-8H2,2-4H3;1-2H3
InChIKeyFPEGLUUMMSYIDV-UHFFFAOYSA-N
XLogP4.37
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.38
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(E)-1-tert-butylsulfanylhex-1-ene
CID 13468728
2-Butyl-6,6-diethyl-6,7-dihydro-5H-1,4-dithiepine
CID 15273567
6-Tert-butylsulfanylhex-1-ene
CID 12385582
2,2-Ditert-butyl-3-ethenylthiirane
CID 12512288
3,3-Dimethyl-4-[(propan-2-yl)sulfanyl]hexa-1,5-diene
CID 13263818
(E)-1-butylsulfanylhex-1-ene
CID 13468726
1-Methylsulfanyl-2,2-bis(prop-2-enyl)pent-4-ene-1-selone
CID 86244053
3-[(E)-prop-1-enyl]sulfanylhepta-1,2-diene
CID 134885469
(4S,5S)-4-methyl-5-methylsulfanylhex-1-ene
CID 134980226
2-Butyl-3-deuterio-6,6-diethyl-5,7-dihydro-1,4-dithiepine
CID 15273568
2,2-ditert-butyl-3H-thiophene
CID 12386075
3-(4,4-Dimethylpent-1-en-3-ylsulfanyl)-4,4-dimethylpent-1-ene
CID 19043507

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-6-methylsulfanylhex-1-ene;ethane?
The IUPAC name of 4,4-dimethyl-6-methylsulfanylhex-1-ene;ethane (CID 142022954) is 4,4-dimethyl-6-methylsulfanylhex-1-ene;ethane.
What is the SMILES notation for 4,4-dimethyl-6-methylsulfanylhex-1-ene;ethane?
The canonical SMILES for 4,4-dimethyl-6-methylsulfanylhex-1-ene;ethane is C=CCC(C)(C)CCSC.CC.
What is the InChIKey of 4,4-dimethyl-6-methylsulfanylhex-1-ene;ethane?
The InChIKey is FPEGLUUMMSYIDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18S.C2H6/c1-5-6-9(2,3)7-8-10-4;1-2/h5H,1,6-8H2,2-4H3;1-2H3.
What are the key properties of 4,4-dimethyl-6-methylsulfanylhex-1-ene;ethane?
4,4-dimethyl-6-methylsulfanylhex-1-ene;ethane has a molecular weight of 188.38 g/mol, XLogP of 4.37, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-6-methylsulfanylhex-1-ene;ethane is sourced from PubChem (CID 142022954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).