2-(2,4-dimethylpent-3-enyl)-2-methyl-1,3-oxathiolane

C11H20OS — CID 101224001

IUPAC2-(2,4-dimethylpent-3-enyl)-2-methyl-1,3-oxathiolane
SMILESCC(C)=CC(C)CC1(C)OCCS1
InChIInChI=1S/C11H20OS/c1-9(2)7-10(3)8-11(4)12-5-6-13-11/h7,10H,5-6,8H2,1-4H3
InChIKeyBYTXZVPRLCSDFK-UHFFFAOYSA-N
MW200.35 g/mol
LogP3.46
Rot. Bonds3

About 2-(2,4-dimethylpent-3-enyl)-2-methyl-1,3-oxathiolane

2-(2,4-dimethylpent-3-enyl)-2-methyl-1,3-oxathiolane (PubChem CID 101224001) has the molecular formula C11H20OS and a molecular weight of 200.35 g/mol. Its IUPAC name is 2-(2,4-dimethylpent-3-enyl)-2-methyl-1,3-oxathiolane.

Molecular Properties

Compound Name2-(2,4-dimethylpent-3-enyl)-2-methyl-1,3-oxathiolane
PubChem CID101224001
Molecular FormulaC11H20OS
Molecular Weight200.35 g/mol
Exact Mass200.12
IUPAC Name2-(2,4-dimethylpent-3-enyl)-2-methyl-1,3-oxathiolane
SMILESCC(C)=CC(C)CC1(C)OCCS1
InChIInChI=1S/C11H20OS/c1-9(2)7-10(3)8-11(4)12-5-6-13-11/h7,10H,5-6,8H2,1-4H3
InChIKeyBYTXZVPRLCSDFK-UHFFFAOYSA-N
XLogP3.46
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.35
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2R,5S)-2-(methoxymethyl)-3-methyl-5-propan-2-yl-2,5-dihydrothiophene
CID 101789478
5-(2-ethoxyethyl)-5-methyl-2-propan-2-yl-2H-thiophene
CID 123140848
1-(1-Butylsulfanylethoxy)-4-methylcyclopentene
CID 145634568
(7Z)-10,11-dimethyl-2-propan-2-yl-1-oxa-3-thiacycloundec-7-ene
CID 170357846
2-(2,6-Dimethylhept-5-enyl)-1,3-oxathiolane
CID 11206674
2-[(2S)-2,6-dimethylhept-5-enyl]-1,3-oxathiolane
CID 11241364
2-(3,7-Dimethyloct-6-enyl)-1,3-oxathiolane
CID 101267568
(2R)-2-(methoxymethyl)-3-methyl-5-propan-2-yl-2,5-dihydrothiophene
CID 102177919
3-(2-Cyclobutylideneethylsulfanyl)-2-methyloxolane
CID 130831095

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethylpent-3-enyl)-2-methyl-1,3-oxathiolane?
The IUPAC name of 2-(2,4-dimethylpent-3-enyl)-2-methyl-1,3-oxathiolane (CID 101224001) is 2-(2,4-dimethylpent-3-enyl)-2-methyl-1,3-oxathiolane.
What is the SMILES notation for 2-(2,4-dimethylpent-3-enyl)-2-methyl-1,3-oxathiolane?
The canonical SMILES for 2-(2,4-dimethylpent-3-enyl)-2-methyl-1,3-oxathiolane is CC(C)=CC(C)CC1(C)OCCS1.
What is the InChIKey of 2-(2,4-dimethylpent-3-enyl)-2-methyl-1,3-oxathiolane?
The InChIKey is BYTXZVPRLCSDFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20OS/c1-9(2)7-10(3)8-11(4)12-5-6-13-11/h7,10H,5-6,8H2,1-4H3.
What are the key properties of 2-(2,4-dimethylpent-3-enyl)-2-methyl-1,3-oxathiolane?
2-(2,4-dimethylpent-3-enyl)-2-methyl-1,3-oxathiolane has a molecular weight of 200.35 g/mol, XLogP of 3.46, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethylpent-3-enyl)-2-methyl-1,3-oxathiolane is sourced from PubChem (CID 101224001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).