2-methyl-1-(2-methylthiolan-2-yl)pentan-1-one

C11H20OS — CID 81451959

IUPAC2-methyl-1-(2-methylthiolan-2-yl)pentan-1-one
SMILESCCCC(C)C(=O)C1(C)CCCS1
InChIInChI=1S/C11H20OS/c1-4-6-9(2)10(12)11(3)7-5-8-13-11/h9H,4-8H2,1-3H3
InChIKeyKGYMUIMPQXASCT-UHFFFAOYSA-N
MW200.35 g/mol
LogP3.28
Rot. Bonds4

About 2-methyl-1-(2-methylthiolan-2-yl)pentan-1-one

2-methyl-1-(2-methylthiolan-2-yl)pentan-1-one (PubChem CID 81451959) has the molecular formula C11H20OS and a molecular weight of 200.35 g/mol. Its IUPAC name is 2-methyl-1-(2-methylthiolan-2-yl)pentan-1-one.

Molecular Properties

Compound Name2-methyl-1-(2-methylthiolan-2-yl)pentan-1-one
PubChem CID81451959
Molecular FormulaC11H20OS
Molecular Weight200.35 g/mol
Exact Mass200.12
IUPAC Name2-methyl-1-(2-methylthiolan-2-yl)pentan-1-one
SMILESCCCC(C)C(=O)C1(C)CCCS1
InChIInChI=1S/C11H20OS/c1-4-6-9(2)10(12)11(3)7-5-8-13-11/h9H,4-8H2,1-3H3
InChIKeyKGYMUIMPQXASCT-UHFFFAOYSA-N
XLogP3.28
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.35
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-1-(2-methylthiolan-2-yl)propan-1-one
CID 81452515
N-(1-amino-1-sulfanylidenepentan-2-yl)-2-methylthiolane-2-carboxamide
CID 81452680
2-methyl-1-(1-methylcyclopropyl)pentan-1-one
CID 107896359
N-(1-chloropropan-2-yl)-N,2-dimethylthiolane-2-carboxamide
CID 104555925
N-(3-chlorobutyl)-2-methylthiolane-2-carboxamide
CID 114301927
N-(2-hydroxypropyl)-N,2-dimethylthiolane-2-carboxamide
CID 81002413
N-(4-hydroxypentyl)-2-methylthiolane-2-carboxamide
CID 107300160
(2S)-4-methyl-2-[(2-methylthiolane-2-carbonyl)amino]pentanoic acid
CID 81451888
N-(1-chloropropan-2-yl)-2-methylthiolane-2-carboxamide
CID 114299643
N-(1-bromopropan-2-yl)-2-methylthiolane-2-carboxamide
CID 114310686
1-[1-(aminomethyl)cycloheptyl]-2-methylpentan-1-one
CID 107890324
1-(1-methoxycycloheptyl)-2-methylpentan-1-one
CID 107896414

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(2-methylthiolan-2-yl)pentan-1-one?
The IUPAC name of 2-methyl-1-(2-methylthiolan-2-yl)pentan-1-one (CID 81451959) is 2-methyl-1-(2-methylthiolan-2-yl)pentan-1-one.
What is the SMILES notation for 2-methyl-1-(2-methylthiolan-2-yl)pentan-1-one?
The canonical SMILES for 2-methyl-1-(2-methylthiolan-2-yl)pentan-1-one is CCCC(C)C(=O)C1(C)CCCS1.
What is the InChIKey of 2-methyl-1-(2-methylthiolan-2-yl)pentan-1-one?
The InChIKey is KGYMUIMPQXASCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20OS/c1-4-6-9(2)10(12)11(3)7-5-8-13-11/h9H,4-8H2,1-3H3.
What are the key properties of 2-methyl-1-(2-methylthiolan-2-yl)pentan-1-one?
2-methyl-1-(2-methylthiolan-2-yl)pentan-1-one has a molecular weight of 200.35 g/mol, XLogP of 3.28, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(2-methylthiolan-2-yl)pentan-1-one is sourced from PubChem (CID 81451959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).