5-heptan-3-yl-2,3-dihydrothiophene

C11H20S — CID 100984300

IUPAC5-heptan-3-yl-2,3-dihydrothiophene
SMILESCCCCC(CC)C1=CCCS1
InChIInChI=1S/C11H20S/c1-3-5-7-10(4-2)11-8-6-9-12-11/h8,10H,3-7,9H2,1-2H3
InChIKeyHDNSBEBZLDGFIO-UHFFFAOYSA-N
MW184.35 g/mol
LogP4.22
Rot. Bonds5

About 5-heptan-3-yl-2,3-dihydrothiophene

5-heptan-3-yl-2,3-dihydrothiophene (PubChem CID 100984300) has the molecular formula C11H20S and a molecular weight of 184.35 g/mol. Its IUPAC name is 5-heptan-3-yl-2,3-dihydrothiophene.

Molecular Properties

Compound Name5-heptan-3-yl-2,3-dihydrothiophene
PubChem CID100984300
Molecular FormulaC11H20S
Molecular Weight184.35 g/mol
Exact Mass184.13
IUPAC Name5-heptan-3-yl-2,3-dihydrothiophene
SMILESCCCCC(CC)C1=CCCS1
InChIInChI=1S/C11H20S/c1-3-5-7-10(4-2)11-8-6-9-12-11/h8,10H,3-7,9H2,1-2H3
InChIKeyHDNSBEBZLDGFIO-UHFFFAOYSA-N
XLogP4.22
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
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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2-(2-chloroethyl)-5-heptan-3-yl-1,3,4-oxadiazole
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2,6-dibromo-4,8-di(heptan-3-yl)thieno[2,3-f][1]benzothiole
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Frequently Asked Questions

What is the IUPAC name of 5-heptan-3-yl-2,3-dihydrothiophene?
The IUPAC name of 5-heptan-3-yl-2,3-dihydrothiophene (CID 100984300) is 5-heptan-3-yl-2,3-dihydrothiophene.
What is the SMILES notation for 5-heptan-3-yl-2,3-dihydrothiophene?
The canonical SMILES for 5-heptan-3-yl-2,3-dihydrothiophene is CCCCC(CC)C1=CCCS1.
What is the InChIKey of 5-heptan-3-yl-2,3-dihydrothiophene?
The InChIKey is HDNSBEBZLDGFIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20S/c1-3-5-7-10(4-2)11-8-6-9-12-11/h8,10H,3-7,9H2,1-2H3.
What are the key properties of 5-heptan-3-yl-2,3-dihydrothiophene?
5-heptan-3-yl-2,3-dihydrothiophene has a molecular weight of 184.35 g/mol, XLogP of 4.22, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-heptan-3-yl-2,3-dihydrothiophene is sourced from PubChem (CID 100984300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).