2-[3-(2-methylprop-1-enoxy)propyl]thiolane

C11H20OS — CID 176603435

IUPAC2-[3-(2-methylprop-1-enoxy)propyl]thiolane
SMILESCC(C)=COCCCC1CCCS1
InChIInChI=1S/C11H20OS/c1-10(2)9-12-7-3-5-11-6-4-8-13-11/h9,11H,3-8H2,1-2H3
InChIKeyKHBLWMINLRVFHF-UHFFFAOYSA-N
MW200.35 g/mol
LogP3.60
Rot. Bonds5

About 2-[3-(2-methylprop-1-enoxy)propyl]thiolane

2-[3-(2-methylprop-1-enoxy)propyl]thiolane (PubChem CID 176603435) has the molecular formula C11H20OS and a molecular weight of 200.35 g/mol. Its IUPAC name is 2-[3-(2-methylprop-1-enoxy)propyl]thiolane.

Molecular Properties

Compound Name2-[3-(2-methylprop-1-enoxy)propyl]thiolane
PubChem CID176603435
Molecular FormulaC11H20OS
Molecular Weight200.35 g/mol
Exact Mass200.12
IUPAC Name2-[3-(2-methylprop-1-enoxy)propyl]thiolane
SMILESCC(C)=COCCCC1CCCS1
InChIInChI=1S/C11H20OS/c1-10(2)9-12-7-3-5-11-6-4-8-13-11/h9,11H,3-8H2,1-2H3
InChIKeyKHBLWMINLRVFHF-UHFFFAOYSA-N
XLogP3.60
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.35
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[3-(2-Methylprop-1-enoxy)propyl]thiane
CID 176603200
3-Ethyl-3-[3-(2-methylprop-1-enoxy)propyl]thiolane
CID 176603250
2-[3-(2-Methylprop-1-enoxy)propyl]thiolane 1-oxide
CID 176603268
2-[3-[(E)-prop-1-enoxy]propyl]thiolane
CID 176603325
2-[3-(Cyclopentylidenemethoxy)propyl]thiolane
CID 176603378
2-[2-[(E)-prop-1-enoxy]ethyl]thiolane
CID 176603408
2-[3-(2-Methylprop-1-enoxy)propyl]thiocane
CID 176603409
2-Ethyl-2-[3-(2-methylprop-1-enoxy)propyl]thiolane 1-oxide
CID 176603430
2-[1-(2-Methylprop-1-enoxy)ethyl]thiolane
CID 176603467
2-Ethyl-2-(2-methylprop-1-enoxymethyl)thiolane
CID 176603475
2-ethyl-2-[3-[(E)-prop-1-enoxy]propyl]thiolane
CID 176603535
2-(2-Methylprop-1-enoxymethyl)thiocane
CID 176603966

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-methylprop-1-enoxy)propyl]thiolane?
The IUPAC name of 2-[3-(2-methylprop-1-enoxy)propyl]thiolane (CID 176603435) is 2-[3-(2-methylprop-1-enoxy)propyl]thiolane.
What is the SMILES notation for 2-[3-(2-methylprop-1-enoxy)propyl]thiolane?
The canonical SMILES for 2-[3-(2-methylprop-1-enoxy)propyl]thiolane is CC(C)=COCCCC1CCCS1.
What is the InChIKey of 2-[3-(2-methylprop-1-enoxy)propyl]thiolane?
The InChIKey is KHBLWMINLRVFHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20OS/c1-10(2)9-12-7-3-5-11-6-4-8-13-11/h9,11H,3-8H2,1-2H3.
What are the key properties of 2-[3-(2-methylprop-1-enoxy)propyl]thiolane?
2-[3-(2-methylprop-1-enoxy)propyl]thiolane has a molecular weight of 200.35 g/mol, XLogP of 3.60, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-methylprop-1-enoxy)propyl]thiolane is sourced from PubChem (CID 176603435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).