2-hydroxysulfanyl-2,5-dimethyl-5-propan-2-yloxyhexane

C11H24O2S — CID 138496495

IUPAC2-hydroxysulfanyl-2,5-dimethyl-5-propan-2-yloxyhexane
SMILESCC(C)OC(C)(C)CCC(C)(C)SO
InChIInChI=1S/C11H24O2S/c1-9(2)13-10(3,4)7-8-11(5,6)14-12/h9,12H,7-8H2,1-6H3
InChIKeyNPBHYOYNJFSREW-UHFFFAOYSA-N
MW220.38 g/mol
LogP3.95
Rot. Bonds6

About 2-hydroxysulfanyl-2,5-dimethyl-5-propan-2-yloxyhexane

2-hydroxysulfanyl-2,5-dimethyl-5-propan-2-yloxyhexane (PubChem CID 138496495) has the molecular formula C11H24O2S and a molecular weight of 220.38 g/mol. Its IUPAC name is 2-hydroxysulfanyl-2,5-dimethyl-5-propan-2-yloxyhexane.

Molecular Properties

Compound Name2-hydroxysulfanyl-2,5-dimethyl-5-propan-2-yloxyhexane
PubChem CID138496495
Molecular FormulaC11H24O2S
Molecular Weight220.38 g/mol
Exact Mass220.15
IUPAC Name2-hydroxysulfanyl-2,5-dimethyl-5-propan-2-yloxyhexane
SMILESCC(C)OC(C)(C)CCC(C)(C)SO
InChIInChI=1S/C11H24O2S/c1-9(2)13-10(3,4)7-8-11(5,6)14-12/h9,12H,7-8H2,1-6H3
InChIKeyNPBHYOYNJFSREW-UHFFFAOYSA-N
XLogP3.95
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.38
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-methyl-5-propan-2-yloxyhexan-1-ol
CID 54256452
N-(2-methyl-2-propan-2-yloxypropyl)prop-2-enamide
CID 167098282
4-methoxy-2,2,4,7,7,9-hexamethyl-9-propan-2-yloxydecane
CID 87651866
3-methyl-3-propan-2-yloxypentan-1-ol
CID 123376010
1,2,4-trifluoro-5-(3-methyl-3-propan-2-yloxybutyl)benzene
CID 174855651
2-methyl-2-propan-2-yloxypropane;propan-2-ol
CID 88729747
N-methyl-2-(2-methyl-2-propan-2-yloxypropoxy)propan-2-amine
CID 135127192
4-hydroxysulfanyl-4-propan-2-yloxyhepta-2,5-diene
CID 126599102
5-(2,4-dimethyl-4-propan-2-yloxypentan-2-yl)oxy-4,5-dioxopentanoic acid
CID 167276105
4-methoxy-2-methyl-2-propan-2-yloxyhexane
CID 123678820
1-propan-2-yloxyethane-1,1-diamine
CID 163518548
2,2,6-trimethyl-3,3-di(propan-2-yloxy)heptane
CID 139690871

Frequently Asked Questions

What is the IUPAC name of 2-hydroxysulfanyl-2,5-dimethyl-5-propan-2-yloxyhexane?
The IUPAC name of 2-hydroxysulfanyl-2,5-dimethyl-5-propan-2-yloxyhexane (CID 138496495) is 2-hydroxysulfanyl-2,5-dimethyl-5-propan-2-yloxyhexane.
What is the SMILES notation for 2-hydroxysulfanyl-2,5-dimethyl-5-propan-2-yloxyhexane?
The canonical SMILES for 2-hydroxysulfanyl-2,5-dimethyl-5-propan-2-yloxyhexane is CC(C)OC(C)(C)CCC(C)(C)SO.
What is the InChIKey of 2-hydroxysulfanyl-2,5-dimethyl-5-propan-2-yloxyhexane?
The InChIKey is NPBHYOYNJFSREW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24O2S/c1-9(2)13-10(3,4)7-8-11(5,6)14-12/h9,12H,7-8H2,1-6H3.
What are the key properties of 2-hydroxysulfanyl-2,5-dimethyl-5-propan-2-yloxyhexane?
2-hydroxysulfanyl-2,5-dimethyl-5-propan-2-yloxyhexane has a molecular weight of 220.38 g/mol, XLogP of 3.95, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxysulfanyl-2,5-dimethyl-5-propan-2-yloxyhexane is sourced from PubChem (CID 138496495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).