4,4,5-trimethyl-2-methylsulfanylheptane

C11H24S — CID 167264547

IUPAC4,4,5-trimethyl-2-methylsulfanylheptane
SMILESCCC(C)C(C)(C)CC(C)SC
InChIInChI=1S/C11H24S/c1-7-9(2)11(4,5)8-10(3)12-6/h9-10H,7-8H2,1-6H3
InChIKeyAONJPMOOFJPURF-UHFFFAOYSA-N
MW188.38 g/mol
LogP4.20
Rot. Bonds5

About 4,4,5-trimethyl-2-methylsulfanylheptane

4,4,5-trimethyl-2-methylsulfanylheptane (PubChem CID 167264547) has the molecular formula C11H24S and a molecular weight of 188.38 g/mol. Its IUPAC name is 4,4,5-trimethyl-2-methylsulfanylheptane.

Molecular Properties

Compound Name4,4,5-trimethyl-2-methylsulfanylheptane
PubChem CID167264547
Molecular FormulaC11H24S
Molecular Weight188.38 g/mol
Exact Mass188.16
IUPAC Name4,4,5-trimethyl-2-methylsulfanylheptane
SMILESCCC(C)C(C)(C)CC(C)SC
InChIInChI=1S/C11H24S/c1-7-9(2)11(4,5)8-10(3)12-6/h9-10H,7-8H2,1-6H3
InChIKeyAONJPMOOFJPURF-UHFFFAOYSA-N
XLogP4.20
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 ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4,4,5-trimethylheptan-2-amine
CID 79446390
4,4,5-trimethyl-N-propylheptan-2-amine
CID 79446561
2,4,4,5-tetramethylheptan-2-ol
CID 123728080
1-fluoro-3,3,4-trimethylhexane
CID 123778940
2,5,5,6-tetramethyloctane
CID 53424276
2,2-dimethyl-3-methylsulfanylpentane
CID 123924936
2,3-dimethylpentan-2-yl(trimethyl)-λ4-sulfane
CID 146190296
2,2-dimethyl-5-methylsulfanylhexane
CID 58033907
2,3-dimethylpentane-2-thiol
CID 90985123
(3S)-2,2-difluoro-3-methylpentane
CID 129370790
2-methyl-4-methylsulfanyl-2-(propylamino)pentanoic acid
CID 64712091
3,5,5,6,10-pentamethyldodecane
CID 91028841

Frequently Asked Questions

What is the IUPAC name of 4,4,5-trimethyl-2-methylsulfanylheptane?
The IUPAC name of 4,4,5-trimethyl-2-methylsulfanylheptane (CID 167264547) is 4,4,5-trimethyl-2-methylsulfanylheptane.
What is the SMILES notation for 4,4,5-trimethyl-2-methylsulfanylheptane?
The canonical SMILES for 4,4,5-trimethyl-2-methylsulfanylheptane is CCC(C)C(C)(C)CC(C)SC.
What is the InChIKey of 4,4,5-trimethyl-2-methylsulfanylheptane?
The InChIKey is AONJPMOOFJPURF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24S/c1-7-9(2)11(4,5)8-10(3)12-6/h9-10H,7-8H2,1-6H3.
What are the key properties of 4,4,5-trimethyl-2-methylsulfanylheptane?
4,4,5-trimethyl-2-methylsulfanylheptane has a molecular weight of 188.38 g/mol, XLogP of 4.20, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,5-trimethyl-2-methylsulfanylheptane is sourced from PubChem (CID 167264547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).