2,2,6,6-tetramethyl-1-(phenylsulfanylmethyl)cyclohexan-1-ol

C17H26OS — CID 134880464

IUPAC2,2,6,6-tetramethyl-1-(phenylsulfanylmethyl)cyclohexan-1-ol
SMILESCC1(C)CCCC(C)(C)C1(O)CSc1ccccc1
InChIInChI=1S/C17H26OS/c1-15(2)11-8-12-16(3,4)17(15,18)13-19-14-9-6-5-7-10-14/h5-7,9-10,18H,8,11-13H2,1-4H3
InChIKeyUMWSMWYKYUUAPU-UHFFFAOYSA-N
MW278.46 g/mol
LogP4.75
Rot. Bonds3

About 2,2,6,6-tetramethyl-1-(phenylsulfanylmethyl)cyclohexan-1-ol

2,2,6,6-tetramethyl-1-(phenylsulfanylmethyl)cyclohexan-1-ol (PubChem CID 134880464) has the molecular formula C17H26OS and a molecular weight of 278.46 g/mol. Its IUPAC name is 2,2,6,6-tetramethyl-1-(phenylsulfanylmethyl)cyclohexan-1-ol.

Molecular Properties

Compound Name2,2,6,6-tetramethyl-1-(phenylsulfanylmethyl)cyclohexan-1-ol
PubChem CID134880464
Molecular FormulaC17H26OS
Molecular Weight278.46 g/mol
Exact Mass278.17
IUPAC Name2,2,6,6-tetramethyl-1-(phenylsulfanylmethyl)cyclohexan-1-ol
SMILESCC1(C)CCCC(C)(C)C1(O)CSc1ccccc1
InChIInChI=1S/C17H26OS/c1-15(2)11-8-12-16(3,4)17(15,18)13-19-14-9-6-5-7-10-14/h5-7,9-10,18H,8,11-13H2,1-4H3
InChIKeyUMWSMWYKYUUAPU-UHFFFAOYSA-N
XLogP4.75
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.46
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2,6,6-tetramethyl-1-(phenylsulfanylmethyl)cyclohexan-1-ol?
The IUPAC name of 2,2,6,6-tetramethyl-1-(phenylsulfanylmethyl)cyclohexan-1-ol (CID 134880464) is 2,2,6,6-tetramethyl-1-(phenylsulfanylmethyl)cyclohexan-1-ol.
What is the SMILES notation for 2,2,6,6-tetramethyl-1-(phenylsulfanylmethyl)cyclohexan-1-ol?
The canonical SMILES for 2,2,6,6-tetramethyl-1-(phenylsulfanylmethyl)cyclohexan-1-ol is CC1(C)CCCC(C)(C)C1(O)CSc1ccccc1.
What is the InChIKey of 2,2,6,6-tetramethyl-1-(phenylsulfanylmethyl)cyclohexan-1-ol?
The InChIKey is UMWSMWYKYUUAPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26OS/c1-15(2)11-8-12-16(3,4)17(15,18)13-19-14-9-6-5-7-10-14/h5-7,9-10,18H,8,11-13H2,1-4H3.
What are the key properties of 2,2,6,6-tetramethyl-1-(phenylsulfanylmethyl)cyclohexan-1-ol?
2,2,6,6-tetramethyl-1-(phenylsulfanylmethyl)cyclohexan-1-ol has a molecular weight of 278.46 g/mol, XLogP of 4.75, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,6,6-tetramethyl-1-(phenylsulfanylmethyl)cyclohexan-1-ol is sourced from PubChem (CID 134880464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).