2-(4-methylpentyl)-3-propan-2-yl-2,3-dihydrothiophene

C13H24S — CID 59202117

IUPAC2-(4-methylpentyl)-3-propan-2-yl-2,3-dihydrothiophene
SMILESCC(C)CCCC1SC=CC1C(C)C
InChIInChI=1S/C13H24S/c1-10(2)6-5-7-13-12(11(3)4)8-9-14-13/h8-13H,5-7H2,1-4H3
InChIKeyHPDWOFRAZDBYNK-UHFFFAOYSA-N
MW212.40 g/mol
LogP4.71
Rot. Bonds5

About 2-(4-methylpentyl)-3-propan-2-yl-2,3-dihydrothiophene

2-(4-methylpentyl)-3-propan-2-yl-2,3-dihydrothiophene (PubChem CID 59202117) has the molecular formula C13H24S and a molecular weight of 212.40 g/mol. Its IUPAC name is 2-(4-methylpentyl)-3-propan-2-yl-2,3-dihydrothiophene.

Molecular Properties

Compound Name2-(4-methylpentyl)-3-propan-2-yl-2,3-dihydrothiophene
PubChem CID59202117
Molecular FormulaC13H24S
Molecular Weight212.40 g/mol
Exact Mass212.16
IUPAC Name2-(4-methylpentyl)-3-propan-2-yl-2,3-dihydrothiophene
SMILESCC(C)CCCC1SC=CC1C(C)C
InChIInChI=1S/C13H24S/c1-10(2)6-5-7-13-12(11(3)4)8-9-14-13/h8-13H,5-7H2,1-4H3
InChIKeyHPDWOFRAZDBYNK-UHFFFAOYSA-N
XLogP4.71
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.40
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 23466487
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CID 53699979
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CID 57001396
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Frequently Asked Questions

What is the IUPAC name of 2-(4-methylpentyl)-3-propan-2-yl-2,3-dihydrothiophene?
The IUPAC name of 2-(4-methylpentyl)-3-propan-2-yl-2,3-dihydrothiophene (CID 59202117) is 2-(4-methylpentyl)-3-propan-2-yl-2,3-dihydrothiophene.
What is the SMILES notation for 2-(4-methylpentyl)-3-propan-2-yl-2,3-dihydrothiophene?
The canonical SMILES for 2-(4-methylpentyl)-3-propan-2-yl-2,3-dihydrothiophene is CC(C)CCCC1SC=CC1C(C)C.
What is the InChIKey of 2-(4-methylpentyl)-3-propan-2-yl-2,3-dihydrothiophene?
The InChIKey is HPDWOFRAZDBYNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24S/c1-10(2)6-5-7-13-12(11(3)4)8-9-14-13/h8-13H,5-7H2,1-4H3.
What are the key properties of 2-(4-methylpentyl)-3-propan-2-yl-2,3-dihydrothiophene?
2-(4-methylpentyl)-3-propan-2-yl-2,3-dihydrothiophene has a molecular weight of 212.40 g/mol, XLogP of 4.71, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylpentyl)-3-propan-2-yl-2,3-dihydrothiophene is sourced from PubChem (CID 59202117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).