6-(4-methylpentyl)-2,3-dihydrothieno[3,4-b]furan

C12H18OS — CID 177208600

IUPAC6-(4-methylpentyl)-2,3-dihydrothieno[3,4-b]furan
SMILESCC(C)CCCc1scc2c1OCC2
InChIInChI=1S/C12H18OS/c1-9(2)4-3-5-11-12-10(8-14-11)6-7-13-12/h8-9H,3-7H2,1-2H3
InChIKeyMSMKGKYHNZOMDT-UHFFFAOYSA-N
MW210.34 g/mol
LogP3.66
Rot. Bonds4

About 6-(4-methylpentyl)-2,3-dihydrothieno[3,4-b]furan

6-(4-methylpentyl)-2,3-dihydrothieno[3,4-b]furan (PubChem CID 177208600) has the molecular formula C12H18OS and a molecular weight of 210.34 g/mol. Its IUPAC name is 6-(4-methylpentyl)-2,3-dihydrothieno[3,4-b]furan.

Molecular Properties

Compound Name6-(4-methylpentyl)-2,3-dihydrothieno[3,4-b]furan
PubChem CID177208600
Molecular FormulaC12H18OS
Molecular Weight210.34 g/mol
Exact Mass210.11
IUPAC Name6-(4-methylpentyl)-2,3-dihydrothieno[3,4-b]furan
SMILESCC(C)CCCc1scc2c1OCC2
InChIInChI=1S/C12H18OS/c1-9(2)4-3-5-11-12-10(8-14-11)6-7-13-12/h8-9H,3-7H2,1-2H3
InChIKeyMSMKGKYHNZOMDT-UHFFFAOYSA-N
XLogP3.66
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.34
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-(4-methylpentyl)-2,3-dihydro-1,4-benzodioxine
CID 177208760
N,N'-bis(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-ylmethyl)-N,N'-dimethylethane-1,2-diamine
CID 11036713
N-[1-(2,3-dihydro-1-benzofuran-5-yl)propyl]-6-methylheptan-2-amine
CID 43769265
4-(6-methylheptyl)-5-[[4-(6-methylheptyl)-2,3-dihydro-1-benzofuran-5-yl]oxy]-2,3-dihydro-1-benzofuran
CID 67048538
6-ethenyl-2,3-dihydrothieno[3,4-b]furan
CID 177208715
1-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-4-methylpentan-1-one
CID 104541228
1-(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-5-methylhexan-1-ol
CID 83158621
3-(2,3-dihydro-1-benzofuran-5-yl)-N-(2-methylpropyl)butan-1-amine
CID 104545189
7-(2,3-dihydro-1-benzofuran-5-yl)-N,2-dimethylheptan-3-amine
CID 65442850
N-(2-methylpropyl)-2,3-dihydro-1-benzofuran-5-amine
CID 43732657
(2S)-5-(7-tert-butyl-2,3-dihydro-1,4-benzodioxin-5-yl)pentan-2-amine
CID 90210552
1-(2,3-dihydro-1-benzofuran-5-yl)-4-methylpentan-1-one
CID 43160511

Frequently Asked Questions

What is the IUPAC name of 6-(4-methylpentyl)-2,3-dihydrothieno[3,4-b]furan?
The IUPAC name of 6-(4-methylpentyl)-2,3-dihydrothieno[3,4-b]furan (CID 177208600) is 6-(4-methylpentyl)-2,3-dihydrothieno[3,4-b]furan.
What is the SMILES notation for 6-(4-methylpentyl)-2,3-dihydrothieno[3,4-b]furan?
The canonical SMILES for 6-(4-methylpentyl)-2,3-dihydrothieno[3,4-b]furan is CC(C)CCCc1scc2c1OCC2.
What is the InChIKey of 6-(4-methylpentyl)-2,3-dihydrothieno[3,4-b]furan?
The InChIKey is MSMKGKYHNZOMDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18OS/c1-9(2)4-3-5-11-12-10(8-14-11)6-7-13-12/h8-9H,3-7H2,1-2H3.
What are the key properties of 6-(4-methylpentyl)-2,3-dihydrothieno[3,4-b]furan?
6-(4-methylpentyl)-2,3-dihydrothieno[3,4-b]furan has a molecular weight of 210.34 g/mol, XLogP of 3.66, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methylpentyl)-2,3-dihydrothieno[3,4-b]furan is sourced from PubChem (CID 177208600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).