2-(2-methyl-5-methylidenecyclopenten-1-yl)sulfanylethanol

C9H14OS — CID 58174582

IUPAC2-(2-methyl-5-methylidenecyclopenten-1-yl)sulfanylethanol
SMILESC=C1CCC(C)=C1SCCO
InChIInChI=1S/C9H14OS/c1-7-3-4-8(2)9(7)11-6-5-10/h10H,1,3-6H2,2H3
InChIKeyHMRSUFMEKHBPKD-UHFFFAOYSA-N
MW170.28 g/mol
LogP2.34
Rot. Bonds3

About 2-(2-methyl-5-methylidenecyclopenten-1-yl)sulfanylethanol

2-(2-methyl-5-methylidenecyclopenten-1-yl)sulfanylethanol (PubChem CID 58174582) has the molecular formula C9H14OS and a molecular weight of 170.28 g/mol. Its IUPAC name is 2-(2-methyl-5-methylidenecyclopenten-1-yl)sulfanylethanol.

Molecular Properties

Compound Name2-(2-methyl-5-methylidenecyclopenten-1-yl)sulfanylethanol
PubChem CID58174582
Molecular FormulaC9H14OS
Molecular Weight170.28 g/mol
Exact Mass170.08
IUPAC Name2-(2-methyl-5-methylidenecyclopenten-1-yl)sulfanylethanol
SMILESC=C1CCC(C)=C1SCCO
InChIInChI=1S/C9H14OS/c1-7-3-4-8(2)9(7)11-6-5-10/h10H,1,3-6H2,2H3
InChIKeyHMRSUFMEKHBPKD-UHFFFAOYSA-N
XLogP2.34
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.28
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-5-methylidenecyclopenten-1-yl)sulfanylethanol?
The IUPAC name of 2-(2-methyl-5-methylidenecyclopenten-1-yl)sulfanylethanol (CID 58174582) is 2-(2-methyl-5-methylidenecyclopenten-1-yl)sulfanylethanol.
What is the SMILES notation for 2-(2-methyl-5-methylidenecyclopenten-1-yl)sulfanylethanol?
The canonical SMILES for 2-(2-methyl-5-methylidenecyclopenten-1-yl)sulfanylethanol is C=C1CCC(C)=C1SCCO.
What is the InChIKey of 2-(2-methyl-5-methylidenecyclopenten-1-yl)sulfanylethanol?
The InChIKey is HMRSUFMEKHBPKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14OS/c1-7-3-4-8(2)9(7)11-6-5-10/h10H,1,3-6H2,2H3.
What are the key properties of 2-(2-methyl-5-methylidenecyclopenten-1-yl)sulfanylethanol?
2-(2-methyl-5-methylidenecyclopenten-1-yl)sulfanylethanol has a molecular weight of 170.28 g/mol, XLogP of 2.34, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-5-methylidenecyclopenten-1-yl)sulfanylethanol is sourced from PubChem (CID 58174582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).