1-(2-methyloxan-2-yl)-4-methylsulfonylbutan-1-ol

C11H22O4S — CID 80683944

IUPAC1-(2-methyloxan-2-yl)-4-methylsulfonylbutan-1-ol
SMILESCC1(C(O)CCCS(C)(=O)=O)CCCCO1
InChIInChI=1S/C11H22O4S/c1-11(7-3-4-8-15-11)10(12)6-5-9-16(2,13)14/h10,12H,3-9H2,1-2H3
InChIKeyLRHXJNCDINTDHE-UHFFFAOYSA-N
MW250.36 g/mol
LogP1.13
Rot. Bonds5

About 1-(2-methyloxan-2-yl)-4-methylsulfonylbutan-1-ol

1-(2-methyloxan-2-yl)-4-methylsulfonylbutan-1-ol (PubChem CID 80683944) has the molecular formula C11H22O4S and a molecular weight of 250.36 g/mol. Its IUPAC name is 1-(2-methyloxan-2-yl)-4-methylsulfonylbutan-1-ol.

Molecular Properties

Compound Name1-(2-methyloxan-2-yl)-4-methylsulfonylbutan-1-ol
PubChem CID80683944
Molecular FormulaC11H22O4S
Molecular Weight250.36 g/mol
Exact Mass250.12
IUPAC Name1-(2-methyloxan-2-yl)-4-methylsulfonylbutan-1-ol
SMILESCC1(C(O)CCCS(C)(=O)=O)CCCCO1
InChIInChI=1S/C11H22O4S/c1-11(7-3-4-8-15-11)10(12)6-5-9-16(2,13)14/h10,12H,3-9H2,1-2H3
InChIKeyLRHXJNCDINTDHE-UHFFFAOYSA-N
XLogP1.13
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.36
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methyloxan-2-yl)-4-methylsulfonylbutan-1-ol?
The IUPAC name of 1-(2-methyloxan-2-yl)-4-methylsulfonylbutan-1-ol (CID 80683944) is 1-(2-methyloxan-2-yl)-4-methylsulfonylbutan-1-ol.
What is the SMILES notation for 1-(2-methyloxan-2-yl)-4-methylsulfonylbutan-1-ol?
The canonical SMILES for 1-(2-methyloxan-2-yl)-4-methylsulfonylbutan-1-ol is CC1(C(O)CCCS(C)(=O)=O)CCCCO1.
What is the InChIKey of 1-(2-methyloxan-2-yl)-4-methylsulfonylbutan-1-ol?
The InChIKey is LRHXJNCDINTDHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O4S/c1-11(7-3-4-8-15-11)10(12)6-5-9-16(2,13)14/h10,12H,3-9H2,1-2H3.
What are the key properties of 1-(2-methyloxan-2-yl)-4-methylsulfonylbutan-1-ol?
1-(2-methyloxan-2-yl)-4-methylsulfonylbutan-1-ol has a molecular weight of 250.36 g/mol, XLogP of 1.13, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methyloxan-2-yl)-4-methylsulfonylbutan-1-ol is sourced from PubChem (CID 80683944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).