(5R,6R)-2-ethyl-3,3,4,5-tetramethyl-6-propan-2-ylsulfanyloxane

C14H28OS — CID 122599335

IUPAC(5R,6R)-2-ethyl-3,3,4,5-tetramethyl-6-propan-2-ylsulfanyloxane
SMILESCCC1O[C@H](SC(C)C)[C@H](C)C(C)C1(C)C
InChIInChI=1S/C14H28OS/c1-8-12-14(6,7)11(5)10(4)13(15-12)16-9(2)3/h9-13H,8H2,1-7H3/t10-,11?,12?,13-/m1/s1
InChIKeyQDDNCRCLERPASI-IKWCTNDRSA-N
MW244.44 g/mol
LogP4.56
Rot. Bonds3

About (5R,6R)-2-ethyl-3,3,4,5-tetramethyl-6-propan-2-ylsulfanyloxane

(5R,6R)-2-ethyl-3,3,4,5-tetramethyl-6-propan-2-ylsulfanyloxane (PubChem CID 122599335) has the molecular formula C14H28OS and a molecular weight of 244.44 g/mol. Its IUPAC name is (5R,6R)-2-ethyl-3,3,4,5-tetramethyl-6-propan-2-ylsulfanyloxane.

Molecular Properties

Compound Name(5R,6R)-2-ethyl-3,3,4,5-tetramethyl-6-propan-2-ylsulfanyloxane
PubChem CID122599335
Molecular FormulaC14H28OS
Molecular Weight244.44 g/mol
Exact Mass244.19
IUPAC Name(5R,6R)-2-ethyl-3,3,4,5-tetramethyl-6-propan-2-ylsulfanyloxane
SMILESCCC1O[C@H](SC(C)C)[C@H](C)C(C)C1(C)C
InChIInChI=1S/C14H28OS/c1-8-12-14(6,7)11(5)10(4)13(15-12)16-9(2)3/h9-13H,8H2,1-7H3/t10-,11?,12?,13-/m1/s1
InChIKeyQDDNCRCLERPASI-IKWCTNDRSA-N
XLogP4.56
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.44
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5R,6R)-2-ethyl-3,3,4,5-tetramethyl-6-propan-2-ylsulfanyloxane?
The IUPAC name of (5R,6R)-2-ethyl-3,3,4,5-tetramethyl-6-propan-2-ylsulfanyloxane (CID 122599335) is (5R,6R)-2-ethyl-3,3,4,5-tetramethyl-6-propan-2-ylsulfanyloxane.
What is the SMILES notation for (5R,6R)-2-ethyl-3,3,4,5-tetramethyl-6-propan-2-ylsulfanyloxane?
The canonical SMILES for (5R,6R)-2-ethyl-3,3,4,5-tetramethyl-6-propan-2-ylsulfanyloxane is CCC1O[C@H](SC(C)C)[C@H](C)C(C)C1(C)C.
What is the InChIKey of (5R,6R)-2-ethyl-3,3,4,5-tetramethyl-6-propan-2-ylsulfanyloxane?
The InChIKey is QDDNCRCLERPASI-IKWCTNDRSA-N. The full InChI is InChI=1S/C14H28OS/c1-8-12-14(6,7)11(5)10(4)13(15-12)16-9(2)3/h9-13H,8H2,1-7H3/t10-,11?,12?,13-/m1/s1.
What are the key properties of (5R,6R)-2-ethyl-3,3,4,5-tetramethyl-6-propan-2-ylsulfanyloxane?
(5R,6R)-2-ethyl-3,3,4,5-tetramethyl-6-propan-2-ylsulfanyloxane has a molecular weight of 244.44 g/mol, XLogP of 4.56, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5R,6R)-2-ethyl-3,3,4,5-tetramethyl-6-propan-2-ylsulfanyloxane is sourced from PubChem (CID 122599335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).