3,3,5,5-tetramethyl-1-sulfanylhexan-1-ol

C10H22OS — CID 88785461

IUPAC3,3,5,5-tetramethyl-1-sulfanylhexan-1-ol
SMILESCC(C)(C)CC(C)(C)CC(O)S
InChIInChI=1S/C10H22OS/c1-9(2,3)7-10(4,5)6-8(11)12/h8,11-12H,6-7H2,1-5H3
InChIKeyFNYFZICYUFDRNZ-UHFFFAOYSA-N
MW190.35 g/mol
LogP3.09
Rot. Bonds3

About 3,3,5,5-tetramethyl-1-sulfanylhexan-1-ol

3,3,5,5-tetramethyl-1-sulfanylhexan-1-ol (PubChem CID 88785461) has the molecular formula C10H22OS and a molecular weight of 190.35 g/mol. Its IUPAC name is 3,3,5,5-tetramethyl-1-sulfanylhexan-1-ol.

Molecular Properties

Compound Name3,3,5,5-tetramethyl-1-sulfanylhexan-1-ol
PubChem CID88785461
Molecular FormulaC10H22OS
Molecular Weight190.35 g/mol
Exact Mass190.14
IUPAC Name3,3,5,5-tetramethyl-1-sulfanylhexan-1-ol
SMILESCC(C)(C)CC(C)(C)CC(O)S
InChIInChI=1S/C10H22OS/c1-9(2,3)7-10(4,5)6-8(11)12/h8,11-12H,6-7H2,1-5H3
InChIKeyFNYFZICYUFDRNZ-UHFFFAOYSA-N
XLogP3.09
TPSA20.23 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.35
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

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2-(2,2,4,4-tetramethylpentyl)propane-1,3-diol
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2,2,4,4,6,6-hexamethylheptane;molecular hydrogen
CID 167544338
2,4,4,6,6-pentamethylheptan-2-ylchloranium
CID 140547290
2,2,7,7-tetramethyloctane-4,4,5-triol
CID 87646657
2,2,4,4,6,6,7,7,9,9,11,11-dodecamethyldodecane
CID 158947018
(2R)-4,4-dimethylpentan-2-ol
CID 7014873
2,4,4,6,6,8,8-heptamethylnonylsilane
CID 150942807
N-ethylethanamine;2,2,4,4,6-pentamethylheptane
CID 177149060
2,2,4,4,6,6,8,8-octamethylnonane-1,5-diol
CID 91435713
2,2,4,4,7-pentamethyl-6-propan-2-ylsulfanyloctane
CID 123486036
2,2,4,4,6,8,8-heptamethylnonane;hexadecane
CID 162121886

Frequently Asked Questions

What is the IUPAC name of 3,3,5,5-tetramethyl-1-sulfanylhexan-1-ol?
The IUPAC name of 3,3,5,5-tetramethyl-1-sulfanylhexan-1-ol (CID 88785461) is 3,3,5,5-tetramethyl-1-sulfanylhexan-1-ol.
What is the SMILES notation for 3,3,5,5-tetramethyl-1-sulfanylhexan-1-ol?
The canonical SMILES for 3,3,5,5-tetramethyl-1-sulfanylhexan-1-ol is CC(C)(C)CC(C)(C)CC(O)S.
What is the InChIKey of 3,3,5,5-tetramethyl-1-sulfanylhexan-1-ol?
The InChIKey is FNYFZICYUFDRNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22OS/c1-9(2,3)7-10(4,5)6-8(11)12/h8,11-12H,6-7H2,1-5H3.
What are the key properties of 3,3,5,5-tetramethyl-1-sulfanylhexan-1-ol?
3,3,5,5-tetramethyl-1-sulfanylhexan-1-ol has a molecular weight of 190.35 g/mol, XLogP of 3.09, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,5,5-tetramethyl-1-sulfanylhexan-1-ol is sourced from PubChem (CID 88785461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).