(3R,5R)-2-ethyl-3,4,5-trimethyl-6-propan-2-yloxane

C13H26O — CID 122599287

IUPAC(3R,5R)-2-ethyl-3,4,5-trimethyl-6-propan-2-yloxane
SMILESCCC1OC(C(C)C)[C@H](C)C(C)[C@H]1C
InChIInChI=1S/C13H26O/c1-7-12-10(5)9(4)11(6)13(14-12)8(2)3/h8-13H,7H2,1-6H3/t9?,10-,11-,12?,13?/m1/s1
InChIKeyZRFYDLAJMVTIEY-WFNKCNOUSA-N
MW198.35 g/mol
LogP3.73
Rot. Bonds2

About (3R,5R)-2-ethyl-3,4,5-trimethyl-6-propan-2-yloxane

(3R,5R)-2-ethyl-3,4,5-trimethyl-6-propan-2-yloxane (PubChem CID 122599287) has the molecular formula C13H26O and a molecular weight of 198.35 g/mol. Its IUPAC name is (3R,5R)-2-ethyl-3,4,5-trimethyl-6-propan-2-yloxane.

Molecular Properties

Compound Name(3R,5R)-2-ethyl-3,4,5-trimethyl-6-propan-2-yloxane
PubChem CID122599287
Molecular FormulaC13H26O
Molecular Weight198.35 g/mol
Exact Mass198.20
IUPAC Name(3R,5R)-2-ethyl-3,4,5-trimethyl-6-propan-2-yloxane
SMILESCCC1OC(C(C)C)[C@H](C)C(C)[C@H]1C
InChIInChI=1S/C13H26O/c1-7-12-10(5)9(4)11(6)13(14-12)8(2)3/h8-13H,7H2,1-6H3/t9?,10-,11-,12?,13?/m1/s1
InChIKeyZRFYDLAJMVTIEY-WFNKCNOUSA-N
XLogP3.73
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.35
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

[(2S,3S,4R,5R,6S)-3,4,5-trimethyl-6-propan-2-yloxan-2-yl]methanol
CID 59651572
(2R,3S,4R,5S)-3,4-dimethyl-2,5-di(propan-2-yl)oxolane
CID 130441371
2-ethyl-3-propan-2-yloxirane
CID 22934413
(3S,4R,6R)-2-ethyl-3,4,5-trimethyl-6-propan-2-yloxyoxane
CID 122599315
(2R,4R,5R)-2-ethyl-3,4,5-trimethyl-6-propan-2-yloxyoxane
CID 58794899
(3S,6S)-2-ethyl-3,4,5,6-tetramethyloxane
CID 91456258
(2S,3R,4S,5S,6R)-2-ethyl-3,4,5,6-tetramethyloxane
CID 59944457
(3S,4R,6S)-2-ethyl-3,4,5,6-tetramethyloxane
CID 91273556
(3R,4S,6S)-2-ethyl-3,4,5,6-tetramethyloxane
CID 90919001
(3R,5R)-2-ethyl-3,4,5-trimethyl-6-(3-methylbutoxy)oxane
CID 122599309
(3S,4R,6S)-2-ethyl-4-[(2S,4S,5R)-6-ethyl-4,5-dimethyl-3-[(2S,4S,5S)-3,4,5,6-tetramethyloxan-2-yl]oxyoxan-2-yl]oxy-3,5,6-trimethyloxane;(3S,4R,6S)-2-ethyl-3-[(2S,4R,5R)-6-ethyl-5-[(2R,4S,5S)-6-ethyl-4-methoxy-3,5-dimethyloxan-2-yl]oxy-3,4-dimethyloxan-2-yl]oxy-4,5-dimethyl-6-propan-2-yloxane
CID 158856498
(2S,3S)-2-ethyl-3,4,5-trimethyloxolane
CID 59088156

Frequently Asked Questions

What is the IUPAC name of (3R,5R)-2-ethyl-3,4,5-trimethyl-6-propan-2-yloxane?
The IUPAC name of (3R,5R)-2-ethyl-3,4,5-trimethyl-6-propan-2-yloxane (CID 122599287) is (3R,5R)-2-ethyl-3,4,5-trimethyl-6-propan-2-yloxane.
What is the SMILES notation for (3R,5R)-2-ethyl-3,4,5-trimethyl-6-propan-2-yloxane?
The canonical SMILES for (3R,5R)-2-ethyl-3,4,5-trimethyl-6-propan-2-yloxane is CCC1OC(C(C)C)[C@H](C)C(C)[C@H]1C.
What is the InChIKey of (3R,5R)-2-ethyl-3,4,5-trimethyl-6-propan-2-yloxane?
The InChIKey is ZRFYDLAJMVTIEY-WFNKCNOUSA-N. The full InChI is InChI=1S/C13H26O/c1-7-12-10(5)9(4)11(6)13(14-12)8(2)3/h8-13H,7H2,1-6H3/t9?,10-,11-,12?,13?/m1/s1.
What are the key properties of (3R,5R)-2-ethyl-3,4,5-trimethyl-6-propan-2-yloxane?
(3R,5R)-2-ethyl-3,4,5-trimethyl-6-propan-2-yloxane has a molecular weight of 198.35 g/mol, XLogP of 3.73, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5R)-2-ethyl-3,4,5-trimethyl-6-propan-2-yloxane is sourced from PubChem (CID 122599287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).