(2-tert-butylsulfanylcyclopentyl)methanol

C10H20OS — CID 122496653

IUPAC(2-tert-butylsulfanylcyclopentyl)methanol
SMILESCC(C)(C)SC1CCCC1CO
InChIInChI=1S/C10H20OS/c1-10(2,3)12-9-6-4-5-8(9)7-11/h8-9,11H,4-7H2,1-3H3
InChIKeySWXPQLJMJXSGQE-UHFFFAOYSA-N
MW188.34 g/mol
LogP2.68
Rot. Bonds2

About (2-tert-butylsulfanylcyclopentyl)methanol

(2-tert-butylsulfanylcyclopentyl)methanol (PubChem CID 122496653) has the molecular formula C10H20OS and a molecular weight of 188.34 g/mol. Its IUPAC name is (2-tert-butylsulfanylcyclopentyl)methanol.

Molecular Properties

Compound Name(2-tert-butylsulfanylcyclopentyl)methanol
PubChem CID122496653
Molecular FormulaC10H20OS
Molecular Weight188.34 g/mol
Exact Mass188.12
IUPAC Name(2-tert-butylsulfanylcyclopentyl)methanol
SMILESCC(C)(C)SC1CCCC1CO
InChIInChI=1S/C10H20OS/c1-10(2,3)12-9-6-4-5-8(9)7-11/h8-9,11H,4-7H2,1-3H3
InChIKeySWXPQLJMJXSGQE-UHFFFAOYSA-N
XLogP2.68
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.34
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2-tert-butylsulfanylcyclopentyl)methanol?
The IUPAC name of (2-tert-butylsulfanylcyclopentyl)methanol (CID 122496653) is (2-tert-butylsulfanylcyclopentyl)methanol.
What is the SMILES notation for (2-tert-butylsulfanylcyclopentyl)methanol?
The canonical SMILES for (2-tert-butylsulfanylcyclopentyl)methanol is CC(C)(C)SC1CCCC1CO.
What is the InChIKey of (2-tert-butylsulfanylcyclopentyl)methanol?
The InChIKey is SWXPQLJMJXSGQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20OS/c1-10(2,3)12-9-6-4-5-8(9)7-11/h8-9,11H,4-7H2,1-3H3.
What are the key properties of (2-tert-butylsulfanylcyclopentyl)methanol?
(2-tert-butylsulfanylcyclopentyl)methanol has a molecular weight of 188.34 g/mol, XLogP of 2.68, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-tert-butylsulfanylcyclopentyl)methanol is sourced from PubChem (CID 122496653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).