(2-tert-butylsulfanylcyclopenta-1,4-dien-1-yl)methanol

C10H16OS — CID 137231065

IUPAC(2-tert-butylsulfanylcyclopenta-1,4-dien-1-yl)methanol
SMILESCC(C)(C)SC1=C(CO)C=CC1
InChIInChI=1S/C10H16OS/c1-10(2,3)12-9-6-4-5-8(9)7-11/h4-5,11H,6-7H2,1-3H3
InChIKeyOFIJXGBDHGNYPM-UHFFFAOYSA-N
MW184.30 g/mol
LogP2.72
Rot. Bonds2

About (2-tert-butylsulfanylcyclopenta-1,4-dien-1-yl)methanol

(2-tert-butylsulfanylcyclopenta-1,4-dien-1-yl)methanol (PubChem CID 137231065) has the molecular formula C10H16OS and a molecular weight of 184.30 g/mol. Its IUPAC name is (2-tert-butylsulfanylcyclopenta-1,4-dien-1-yl)methanol.

Molecular Properties

Compound Name(2-tert-butylsulfanylcyclopenta-1,4-dien-1-yl)methanol
PubChem CID137231065
Molecular FormulaC10H16OS
Molecular Weight184.30 g/mol
Exact Mass184.09
IUPAC Name(2-tert-butylsulfanylcyclopenta-1,4-dien-1-yl)methanol
SMILESCC(C)(C)SC1=C(CO)C=CC1
InChIInChI=1S/C10H16OS/c1-10(2,3)12-9-6-4-5-8(9)7-11/h4-5,11H,6-7H2,1-3H3
InChIKeyOFIJXGBDHGNYPM-UHFFFAOYSA-N
XLogP2.72
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.30
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2-tert-butylsulfanylcyclopenta-1,4-dien-1-yl)methanol?
The IUPAC name of (2-tert-butylsulfanylcyclopenta-1,4-dien-1-yl)methanol (CID 137231065) is (2-tert-butylsulfanylcyclopenta-1,4-dien-1-yl)methanol.
What is the SMILES notation for (2-tert-butylsulfanylcyclopenta-1,4-dien-1-yl)methanol?
The canonical SMILES for (2-tert-butylsulfanylcyclopenta-1,4-dien-1-yl)methanol is CC(C)(C)SC1=C(CO)C=CC1.
What is the InChIKey of (2-tert-butylsulfanylcyclopenta-1,4-dien-1-yl)methanol?
The InChIKey is OFIJXGBDHGNYPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16OS/c1-10(2,3)12-9-6-4-5-8(9)7-11/h4-5,11H,6-7H2,1-3H3.
What are the key properties of (2-tert-butylsulfanylcyclopenta-1,4-dien-1-yl)methanol?
(2-tert-butylsulfanylcyclopenta-1,4-dien-1-yl)methanol has a molecular weight of 184.30 g/mol, XLogP of 2.72, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-tert-butylsulfanylcyclopenta-1,4-dien-1-yl)methanol is sourced from PubChem (CID 137231065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).