(3R,5R)-2-ethyl-3,4,5-trimethyl-6-(3-methylbutoxy)oxane

C15H30O2 — CID 122599309

IUPAC(3R,5R)-2-ethyl-3,4,5-trimethyl-6-(3-methylbutoxy)oxane
SMILESCCC1OC(OCCC(C)C)[C@H](C)C(C)[C@H]1C
InChIInChI=1S/C15H30O2/c1-7-14-12(5)11(4)13(6)15(17-14)16-9-8-10(2)3/h10-15H,7-9H2,1-6H3/t11?,12-,13-,14?,15?/m1/s1
InChIKeyJMMFDBZKTRMGNM-YATPQJKZSA-N
MW242.40 g/mol
LogP4.09
Rot. Bonds5

About (3R,5R)-2-ethyl-3,4,5-trimethyl-6-(3-methylbutoxy)oxane

(3R,5R)-2-ethyl-3,4,5-trimethyl-6-(3-methylbutoxy)oxane (PubChem CID 122599309) has the molecular formula C15H30O2 and a molecular weight of 242.40 g/mol. Its IUPAC name is (3R,5R)-2-ethyl-3,4,5-trimethyl-6-(3-methylbutoxy)oxane.

Molecular Properties

Compound Name(3R,5R)-2-ethyl-3,4,5-trimethyl-6-(3-methylbutoxy)oxane
PubChem CID122599309
Molecular FormulaC15H30O2
Molecular Weight242.40 g/mol
Exact Mass242.22
IUPAC Name(3R,5R)-2-ethyl-3,4,5-trimethyl-6-(3-methylbutoxy)oxane
SMILESCCC1OC(OCCC(C)C)[C@H](C)C(C)[C@H]1C
InChIInChI=1S/C15H30O2/c1-7-14-12(5)11(4)13(6)15(17-14)16-9-8-10(2)3/h10-15H,7-9H2,1-6H3/t11?,12-,13-,14?,15?/m1/s1
InChIKeyJMMFDBZKTRMGNM-YATPQJKZSA-N
XLogP4.09
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.40
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3R,5R)-2-ethyl-3,4,5-trimethyl-6-(3-methylbutoxy)oxane?
The IUPAC name of (3R,5R)-2-ethyl-3,4,5-trimethyl-6-(3-methylbutoxy)oxane (CID 122599309) is (3R,5R)-2-ethyl-3,4,5-trimethyl-6-(3-methylbutoxy)oxane.
What is the SMILES notation for (3R,5R)-2-ethyl-3,4,5-trimethyl-6-(3-methylbutoxy)oxane?
The canonical SMILES for (3R,5R)-2-ethyl-3,4,5-trimethyl-6-(3-methylbutoxy)oxane is CCC1OC(OCCC(C)C)[C@H](C)C(C)[C@H]1C.
What is the InChIKey of (3R,5R)-2-ethyl-3,4,5-trimethyl-6-(3-methylbutoxy)oxane?
The InChIKey is JMMFDBZKTRMGNM-YATPQJKZSA-N. The full InChI is InChI=1S/C15H30O2/c1-7-14-12(5)11(4)13(6)15(17-14)16-9-8-10(2)3/h10-15H,7-9H2,1-6H3/t11?,12-,13-,14?,15?/m1/s1.
What are the key properties of (3R,5R)-2-ethyl-3,4,5-trimethyl-6-(3-methylbutoxy)oxane?
(3R,5R)-2-ethyl-3,4,5-trimethyl-6-(3-methylbutoxy)oxane has a molecular weight of 242.40 g/mol, XLogP of 4.09, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5R)-2-ethyl-3,4,5-trimethyl-6-(3-methylbutoxy)oxane is sourced from PubChem (CID 122599309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).