2-(3-methylbutylsulfanyl)-3-propan-2-yl-2,3-dihydrofuran

C12H22OS — CID 59202145

IUPAC2-(3-methylbutylsulfanyl)-3-propan-2-yl-2,3-dihydrofuran
SMILESCC(C)CCSC1OC=CC1C(C)C
InChIInChI=1S/C12H22OS/c1-9(2)6-8-14-12-11(10(3)4)5-7-13-12/h5,7,9-12H,6,8H2,1-4H3
InChIKeyKXYHEGSFJQHHIO-UHFFFAOYSA-N
MW214.37 g/mol
LogP3.91
Rot. Bonds5

About 2-(3-methylbutylsulfanyl)-3-propan-2-yl-2,3-dihydrofuran

2-(3-methylbutylsulfanyl)-3-propan-2-yl-2,3-dihydrofuran (PubChem CID 59202145) has the molecular formula C12H22OS and a molecular weight of 214.37 g/mol. Its IUPAC name is 2-(3-methylbutylsulfanyl)-3-propan-2-yl-2,3-dihydrofuran.

Molecular Properties

Compound Name2-(3-methylbutylsulfanyl)-3-propan-2-yl-2,3-dihydrofuran
PubChem CID59202145
Molecular FormulaC12H22OS
Molecular Weight214.37 g/mol
Exact Mass214.14
IUPAC Name2-(3-methylbutylsulfanyl)-3-propan-2-yl-2,3-dihydrofuran
SMILESCC(C)CCSC1OC=CC1C(C)C
InChIInChI=1S/C12H22OS/c1-9(2)6-8-14-12-11(10(3)4)5-7-13-12/h5,7,9-12H,6,8H2,1-4H3
InChIKeyKXYHEGSFJQHHIO-UHFFFAOYSA-N
XLogP3.91
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.37
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methylbutylsulfanyl)-3-propan-2-yl-2,3-dihydrofuran?
The IUPAC name of 2-(3-methylbutylsulfanyl)-3-propan-2-yl-2,3-dihydrofuran (CID 59202145) is 2-(3-methylbutylsulfanyl)-3-propan-2-yl-2,3-dihydrofuran.
What is the SMILES notation for 2-(3-methylbutylsulfanyl)-3-propan-2-yl-2,3-dihydrofuran?
The canonical SMILES for 2-(3-methylbutylsulfanyl)-3-propan-2-yl-2,3-dihydrofuran is CC(C)CCSC1OC=CC1C(C)C.
What is the InChIKey of 2-(3-methylbutylsulfanyl)-3-propan-2-yl-2,3-dihydrofuran?
The InChIKey is KXYHEGSFJQHHIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22OS/c1-9(2)6-8-14-12-11(10(3)4)5-7-13-12/h5,7,9-12H,6,8H2,1-4H3.
What are the key properties of 2-(3-methylbutylsulfanyl)-3-propan-2-yl-2,3-dihydrofuran?
2-(3-methylbutylsulfanyl)-3-propan-2-yl-2,3-dihydrofuran has a molecular weight of 214.37 g/mol, XLogP of 3.91, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylbutylsulfanyl)-3-propan-2-yl-2,3-dihydrofuran is sourced from PubChem (CID 59202145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).