3,3-dimethyl-1,1-bis(methylsulfanyl)hexane

C10H22S2 — CID 123662508

IUPAC3,3-dimethyl-1,1-bis(methylsulfanyl)hexane
SMILESCCCC(C)(C)CC(SC)SC
InChIInChI=1S/C10H22S2/c1-6-7-10(2,3)8-9(11-4)12-5/h9H,6-8H2,1-5H3
InChIKeyFXRRNIHCGUETRF-UHFFFAOYSA-N
MW206.42 g/mol
LogP4.25
Rot. Bonds6

About 3,3-dimethyl-1,1-bis(methylsulfanyl)hexane

3,3-dimethyl-1,1-bis(methylsulfanyl)hexane (PubChem CID 123662508) has the molecular formula C10H22S2 and a molecular weight of 206.42 g/mol. Its IUPAC name is 3,3-dimethyl-1,1-bis(methylsulfanyl)hexane.

Molecular Properties

Compound Name3,3-dimethyl-1,1-bis(methylsulfanyl)hexane
PubChem CID123662508
Molecular FormulaC10H22S2
Molecular Weight206.42 g/mol
Exact Mass206.12
IUPAC Name3,3-dimethyl-1,1-bis(methylsulfanyl)hexane
SMILESCCCC(C)(C)CC(SC)SC
InChIInChI=1S/C10H22S2/c1-6-7-10(2,3)8-9(11-4)12-5/h9H,6-8H2,1-5H3
InChIKeyFXRRNIHCGUETRF-UHFFFAOYSA-N
XLogP4.25
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.42
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

3,3-dimethylhexane-1,1-diamine
CID 88633791
3,5,5-trimethyloctan-2-amine
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3,3-dimethylhexane
CID 11233
4,4-dimethyl-2-propan-2-yloxyheptane
CID 123988910
3,5,5-trimethyloct-1-ene
CID 123557497
N-ethyl-4,4-dimethyl-N-propan-2-ylheptan-2-amine
CID 90854541
(3S)-1-iodo-5,5-dimethyloctan-3-amine
CID 134254412
2-carbamoyl-4,4-dimethylheptanoic acid
CID 87260001
4,4,6,12-tetramethyloctadecane
CID 123154666
4,4-dimethylhept-1-yne
CID 54097689
CID 123373948
CID 123373948
4,4-dimethylheptane;methane;4-methylheptane
CID 159758574

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-1,1-bis(methylsulfanyl)hexane?
The IUPAC name of 3,3-dimethyl-1,1-bis(methylsulfanyl)hexane (CID 123662508) is 3,3-dimethyl-1,1-bis(methylsulfanyl)hexane.
What is the SMILES notation for 3,3-dimethyl-1,1-bis(methylsulfanyl)hexane?
The canonical SMILES for 3,3-dimethyl-1,1-bis(methylsulfanyl)hexane is CCCC(C)(C)CC(SC)SC.
What is the InChIKey of 3,3-dimethyl-1,1-bis(methylsulfanyl)hexane?
The InChIKey is FXRRNIHCGUETRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22S2/c1-6-7-10(2,3)8-9(11-4)12-5/h9H,6-8H2,1-5H3.
What are the key properties of 3,3-dimethyl-1,1-bis(methylsulfanyl)hexane?
3,3-dimethyl-1,1-bis(methylsulfanyl)hexane has a molecular weight of 206.42 g/mol, XLogP of 4.25, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-1,1-bis(methylsulfanyl)hexane is sourced from PubChem (CID 123662508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).