2-methyl-1-(2-methylthiolan-2-yl)prop-2-en-1-ol

C9H16OS — CID 105110589

IUPAC2-methyl-1-(2-methylthiolan-2-yl)prop-2-en-1-ol
SMILESC=C(C)C(O)C1(C)CCCS1
InChIInChI=1S/C9H16OS/c1-7(2)8(10)9(3)5-4-6-11-9/h8,10H,1,4-6H2,2-3H3
InChIKeyPEWCPFDQZVTQCI-UHFFFAOYSA-N
MW172.29 g/mol
LogP2.21
Rot. Bonds2

About 2-methyl-1-(2-methylthiolan-2-yl)prop-2-en-1-ol

2-methyl-1-(2-methylthiolan-2-yl)prop-2-en-1-ol (PubChem CID 105110589) has the molecular formula C9H16OS and a molecular weight of 172.29 g/mol. Its IUPAC name is 2-methyl-1-(2-methylthiolan-2-yl)prop-2-en-1-ol.

Molecular Properties

Compound Name2-methyl-1-(2-methylthiolan-2-yl)prop-2-en-1-ol
PubChem CID105110589
Molecular FormulaC9H16OS
Molecular Weight172.29 g/mol
Exact Mass172.09
IUPAC Name2-methyl-1-(2-methylthiolan-2-yl)prop-2-en-1-ol
SMILESC=C(C)C(O)C1(C)CCCS1
InChIInChI=1S/C9H16OS/c1-7(2)8(10)9(3)5-4-6-11-9/h8,10H,1,4-6H2,2-3H3
InChIKeyPEWCPFDQZVTQCI-UHFFFAOYSA-N
XLogP2.21
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.29
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-methyl-1-(2-methylthiolan-2-yl)prop-2-en-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(2-methylthiolan-2-yl)prop-2-en-1-ol?
The IUPAC name of 2-methyl-1-(2-methylthiolan-2-yl)prop-2-en-1-ol (CID 105110589) is 2-methyl-1-(2-methylthiolan-2-yl)prop-2-en-1-ol.
What is the SMILES notation for 2-methyl-1-(2-methylthiolan-2-yl)prop-2-en-1-ol?
The canonical SMILES for 2-methyl-1-(2-methylthiolan-2-yl)prop-2-en-1-ol is C=C(C)C(O)C1(C)CCCS1.
What is the InChIKey of 2-methyl-1-(2-methylthiolan-2-yl)prop-2-en-1-ol?
The InChIKey is PEWCPFDQZVTQCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16OS/c1-7(2)8(10)9(3)5-4-6-11-9/h8,10H,1,4-6H2,2-3H3.
What are the key properties of 2-methyl-1-(2-methylthiolan-2-yl)prop-2-en-1-ol?
2-methyl-1-(2-methylthiolan-2-yl)prop-2-en-1-ol has a molecular weight of 172.29 g/mol, XLogP of 2.21, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(2-methylthiolan-2-yl)prop-2-en-1-ol is sourced from PubChem (CID 105110589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).