3-cyclopropyl-1-(2-methylthiolan-2-yl)propan-1-ol

C11H20OS — CID 105105928

IUPAC3-cyclopropyl-1-(2-methylthiolan-2-yl)propan-1-ol
SMILESCC1(C(O)CCC2CC2)CCCS1
InChIInChI=1S/C11H20OS/c1-11(7-2-8-13-11)10(12)6-5-9-3-4-9/h9-10,12H,2-8H2,1H3
InChIKeyXDSSQNNZSYDXMT-UHFFFAOYSA-N
MW200.35 g/mol
LogP2.82
Rot. Bonds4

About 3-cyclopropyl-1-(2-methylthiolan-2-yl)propan-1-ol

3-cyclopropyl-1-(2-methylthiolan-2-yl)propan-1-ol (PubChem CID 105105928) has the molecular formula C11H20OS and a molecular weight of 200.35 g/mol. Its IUPAC name is 3-cyclopropyl-1-(2-methylthiolan-2-yl)propan-1-ol.

Molecular Properties

Compound Name3-cyclopropyl-1-(2-methylthiolan-2-yl)propan-1-ol
PubChem CID105105928
Molecular FormulaC11H20OS
Molecular Weight200.35 g/mol
Exact Mass200.12
IUPAC Name3-cyclopropyl-1-(2-methylthiolan-2-yl)propan-1-ol
SMILESCC1(C(O)CCC2CC2)CCCS1
InChIInChI=1S/C11H20OS/c1-11(7-2-8-13-11)10(12)6-5-9-3-4-9/h9-10,12H,2-8H2,1H3
InChIKeyXDSSQNNZSYDXMT-UHFFFAOYSA-N
XLogP2.82
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.35
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-1-(2-methylthiolan-2-yl)propan-1-ol?
The IUPAC name of 3-cyclopropyl-1-(2-methylthiolan-2-yl)propan-1-ol (CID 105105928) is 3-cyclopropyl-1-(2-methylthiolan-2-yl)propan-1-ol.
What is the SMILES notation for 3-cyclopropyl-1-(2-methylthiolan-2-yl)propan-1-ol?
The canonical SMILES for 3-cyclopropyl-1-(2-methylthiolan-2-yl)propan-1-ol is CC1(C(O)CCC2CC2)CCCS1.
What is the InChIKey of 3-cyclopropyl-1-(2-methylthiolan-2-yl)propan-1-ol?
The InChIKey is XDSSQNNZSYDXMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20OS/c1-11(7-2-8-13-11)10(12)6-5-9-3-4-9/h9-10,12H,2-8H2,1H3.
What are the key properties of 3-cyclopropyl-1-(2-methylthiolan-2-yl)propan-1-ol?
3-cyclopropyl-1-(2-methylthiolan-2-yl)propan-1-ol has a molecular weight of 200.35 g/mol, XLogP of 2.82, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-1-(2-methylthiolan-2-yl)propan-1-ol is sourced from PubChem (CID 105105928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).