2,6-dimethyl-8-propan-2-ylsulfanyloct-2-ene

C13H26S — CID 14689106

IUPAC2,6-dimethyl-8-propan-2-ylsulfanyloct-2-ene
SMILESCC(C)=CCCC(C)CCSC(C)C
InChIInChI=1S/C13H26S/c1-11(2)7-6-8-13(5)9-10-14-12(3)4/h7,12-13H,6,8-10H2,1-5H3
InChIKeyHPQKAOBMBZPWIL-UHFFFAOYSA-N
MW214.42 g/mol
LogP4.90
Rot. Bonds7

About 2,6-dimethyl-8-propan-2-ylsulfanyloct-2-ene

2,6-dimethyl-8-propan-2-ylsulfanyloct-2-ene (PubChem CID 14689106) has the molecular formula C13H26S and a molecular weight of 214.42 g/mol. Its IUPAC name is 2,6-dimethyl-8-propan-2-ylsulfanyloct-2-ene.

Molecular Properties

Compound Name2,6-dimethyl-8-propan-2-ylsulfanyloct-2-ene
PubChem CID14689106
Molecular FormulaC13H26S
Molecular Weight214.42 g/mol
Exact Mass214.18
IUPAC Name2,6-dimethyl-8-propan-2-ylsulfanyloct-2-ene
SMILESCC(C)=CCCC(C)CCSC(C)C
InChIInChI=1S/C13H26S/c1-11(2)7-6-8-13(5)9-10-14-12(3)4/h7,12-13H,6,8-10H2,1-5H3
InChIKeyHPQKAOBMBZPWIL-UHFFFAOYSA-N
XLogP4.90
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.42
LogP ≤ 54.90
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

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5-Cyclohexyl-2,3-dihydrothiophene
CID 10899091
5-Methyl-2-propan-2-yl-2,3-dihydrothiophene
CID 12596207
3-(Methylsulfanylmethyl)cyclohexene
CID 12936957
4-Methyl-2-pentyl-2,5-dihydrothiophene
CID 57702316
5-Cyclohexyl-2-methyl-2,3-dihydrothiophene
CID 68347668
1-Isopropyl-4-methyl-3,4-bis(methylthio)-1-cyclohexene
CID 375769
2-(2-Fluoronona-1,5-dien-4-yl)thietane
CID 91247320
1-Methyl-4-(3,3,3-trifluoropropylsulfanylmethyl)cyclohexene
CID 145543781
(4S)-2-(fluoromethyl)-4-methyl-6-propan-2-yl-3,4-dihydro-2H-thiopyran
CID 163447135

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-8-propan-2-ylsulfanyloct-2-ene?
The IUPAC name of 2,6-dimethyl-8-propan-2-ylsulfanyloct-2-ene (CID 14689106) is 2,6-dimethyl-8-propan-2-ylsulfanyloct-2-ene.
What is the SMILES notation for 2,6-dimethyl-8-propan-2-ylsulfanyloct-2-ene?
The canonical SMILES for 2,6-dimethyl-8-propan-2-ylsulfanyloct-2-ene is CC(C)=CCCC(C)CCSC(C)C.
What is the InChIKey of 2,6-dimethyl-8-propan-2-ylsulfanyloct-2-ene?
The InChIKey is HPQKAOBMBZPWIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26S/c1-11(2)7-6-8-13(5)9-10-14-12(3)4/h7,12-13H,6,8-10H2,1-5H3.
What are the key properties of 2,6-dimethyl-8-propan-2-ylsulfanyloct-2-ene?
2,6-dimethyl-8-propan-2-ylsulfanyloct-2-ene has a molecular weight of 214.42 g/mol, XLogP of 4.90, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-8-propan-2-ylsulfanyloct-2-ene is sourced from PubChem (CID 14689106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).