4-[(1R)-cyclohexa-2,4-dien-1-yl]-5-methylthiolan-2-ol

C11H16OS — CID 129300171

IUPAC4-[(1R)-cyclohexa-2,4-dien-1-yl]-5-methylthiolan-2-ol
SMILESCC1SC(O)CC1[C@H]1C=CC=CC1
InChIInChI=1S/C11H16OS/c1-8-10(7-11(12)13-8)9-5-3-2-4-6-9/h2-5,8-12H,6-7H2,1H3/t8?,9-,10?,11?/m0/s1
InChIKeyIWSDTDLVXVLFPU-ZQOALKFFSA-N
MW196.31 g/mol
LogP2.58
Rot. Bonds1

About 4-[(1R)-cyclohexa-2,4-dien-1-yl]-5-methylthiolan-2-ol

4-[(1R)-cyclohexa-2,4-dien-1-yl]-5-methylthiolan-2-ol (PubChem CID 129300171) has the molecular formula C11H16OS and a molecular weight of 196.31 g/mol. Its IUPAC name is 4-[(1R)-cyclohexa-2,4-dien-1-yl]-5-methylthiolan-2-ol.

Molecular Properties

Compound Name4-[(1R)-cyclohexa-2,4-dien-1-yl]-5-methylthiolan-2-ol
PubChem CID129300171
Molecular FormulaC11H16OS
Molecular Weight196.31 g/mol
Exact Mass196.09
IUPAC Name4-[(1R)-cyclohexa-2,4-dien-1-yl]-5-methylthiolan-2-ol
SMILESCC1SC(O)CC1[C@H]1C=CC=CC1
InChIInChI=1S/C11H16OS/c1-8-10(7-11(12)13-8)9-5-3-2-4-6-9/h2-5,8-12H,6-7H2,1H3/t8?,9-,10?,11?/m0/s1
InChIKeyIWSDTDLVXVLFPU-ZQOALKFFSA-N
XLogP2.58
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.31
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-[(1R)-cyclohexa-2,4-dien-1-yl]-5-methylthiolan-2-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 4-[(1R)-cyclohexa-2,4-dien-1-yl]-5-methylthiolan-2-ol?
The IUPAC name of 4-[(1R)-cyclohexa-2,4-dien-1-yl]-5-methylthiolan-2-ol (CID 129300171) is 4-[(1R)-cyclohexa-2,4-dien-1-yl]-5-methylthiolan-2-ol.
What is the SMILES notation for 4-[(1R)-cyclohexa-2,4-dien-1-yl]-5-methylthiolan-2-ol?
The canonical SMILES for 4-[(1R)-cyclohexa-2,4-dien-1-yl]-5-methylthiolan-2-ol is CC1SC(O)CC1[C@H]1C=CC=CC1.
What is the InChIKey of 4-[(1R)-cyclohexa-2,4-dien-1-yl]-5-methylthiolan-2-ol?
The InChIKey is IWSDTDLVXVLFPU-ZQOALKFFSA-N. The full InChI is InChI=1S/C11H16OS/c1-8-10(7-11(12)13-8)9-5-3-2-4-6-9/h2-5,8-12H,6-7H2,1H3/t8?,9-,10?,11?/m0/s1.
What are the key properties of 4-[(1R)-cyclohexa-2,4-dien-1-yl]-5-methylthiolan-2-ol?
4-[(1R)-cyclohexa-2,4-dien-1-yl]-5-methylthiolan-2-ol has a molecular weight of 196.31 g/mol, XLogP of 2.58, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1R)-cyclohexa-2,4-dien-1-yl]-5-methylthiolan-2-ol is sourced from PubChem (CID 129300171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).