4-methyl-2,3-dipropyl-2,3-dihydrothiophene

C11H20S — CID 168721735

IUPAC4-methyl-2,3-dipropyl-2,3-dihydrothiophene
SMILESCCCC1SC=C(C)C1CCC
InChIInChI=1S/C11H20S/c1-4-6-10-9(3)8-12-11(10)7-5-2/h8,10-11H,4-7H2,1-3H3
InChIKeyNFMWPVNGWCQMMJ-UHFFFAOYSA-N
MW184.35 g/mol
LogP4.22
Rot. Bonds4

About 4-methyl-2,3-dipropyl-2,3-dihydrothiophene

4-methyl-2,3-dipropyl-2,3-dihydrothiophene (PubChem CID 168721735) has the molecular formula C11H20S and a molecular weight of 184.35 g/mol. Its IUPAC name is 4-methyl-2,3-dipropyl-2,3-dihydrothiophene.

Molecular Properties

Compound Name4-methyl-2,3-dipropyl-2,3-dihydrothiophene
PubChem CID168721735
Molecular FormulaC11H20S
Molecular Weight184.35 g/mol
Exact Mass184.13
IUPAC Name4-methyl-2,3-dipropyl-2,3-dihydrothiophene
SMILESCCCC1SC=C(C)C1CCC
InChIInChI=1S/C11H20S/c1-4-6-10-9(3)8-12-11(10)7-5-2/h8,10-11H,4-7H2,1-3H3
InChIKeyNFMWPVNGWCQMMJ-UHFFFAOYSA-N
XLogP4.22
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.35
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 135060143
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CID 20664953
3-Ethyl-2-propyl-2,3-dihydrothiophene
CID 53699979
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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2,3-dipropyl-2,3-dihydrothiophene?
The IUPAC name of 4-methyl-2,3-dipropyl-2,3-dihydrothiophene (CID 168721735) is 4-methyl-2,3-dipropyl-2,3-dihydrothiophene.
What is the SMILES notation for 4-methyl-2,3-dipropyl-2,3-dihydrothiophene?
The canonical SMILES for 4-methyl-2,3-dipropyl-2,3-dihydrothiophene is CCCC1SC=C(C)C1CCC.
What is the InChIKey of 4-methyl-2,3-dipropyl-2,3-dihydrothiophene?
The InChIKey is NFMWPVNGWCQMMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20S/c1-4-6-10-9(3)8-12-11(10)7-5-2/h8,10-11H,4-7H2,1-3H3.
What are the key properties of 4-methyl-2,3-dipropyl-2,3-dihydrothiophene?
4-methyl-2,3-dipropyl-2,3-dihydrothiophene has a molecular weight of 184.35 g/mol, XLogP of 4.22, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2,3-dipropyl-2,3-dihydrothiophene is sourced from PubChem (CID 168721735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).