(3S,6S)-2,3,4,5-tetramethyl-6-[(2S,5S)-2,4,5,6-tetramethyloxan-3-yl]oxyoxane

C18H34O3 — CID 134973880

IUPAC(3S,6S)-2,3,4,5-tetramethyl-6-[(2S,5S)-2,4,5,6-tetramethyloxan-3-yl]oxyoxane
SMILESCC1C(C)[C@H](C)C(C)O[C@H]1OC1C(C)[C@H](C)C(C)O[C@H]1C
InChIInChI=1S/C18H34O3/c1-9-10(2)15(7)20-18(13(9)5)21-17-12(4)11(3)14(6)19-16(17)8/h9-18H,1-8H3/t9?,10-,11-,12?,13?,14?,15?,16-,17?,18-/m0/s1
InChIKeyCEVYMJZWSXUJII-FDHACNMQSA-N
MW298.47 g/mol
LogP4.10
Rot. Bonds2

About (3S,6S)-2,3,4,5-tetramethyl-6-[(2S,5S)-2,4,5,6-tetramethyloxan-3-yl]oxyoxane

(3S,6S)-2,3,4,5-tetramethyl-6-[(2S,5S)-2,4,5,6-tetramethyloxan-3-yl]oxyoxane (PubChem CID 134973880) has the molecular formula C18H34O3 and a molecular weight of 298.47 g/mol. Its IUPAC name is (3S,6S)-2,3,4,5-tetramethyl-6-[(2S,5S)-2,4,5,6-tetramethyloxan-3-yl]oxyoxane.

Molecular Properties

Compound Name(3S,6S)-2,3,4,5-tetramethyl-6-[(2S,5S)-2,4,5,6-tetramethyloxan-3-yl]oxyoxane
PubChem CID134973880
Molecular FormulaC18H34O3
Molecular Weight298.47 g/mol
Exact Mass298.25
IUPAC Name(3S,6S)-2,3,4,5-tetramethyl-6-[(2S,5S)-2,4,5,6-tetramethyloxan-3-yl]oxyoxane
SMILESCC1C(C)[C@H](C)C(C)O[C@H]1OC1C(C)[C@H](C)C(C)O[C@H]1C
InChIInChI=1S/C18H34O3/c1-9-10(2)15(7)20-18(13(9)5)21-17-12(4)11(3)14(6)19-16(17)8/h9-18H,1-8H3/t9?,10-,11-,12?,13?,14?,15?,16-,17?,18-/m0/s1
InChIKeyCEVYMJZWSXUJII-FDHACNMQSA-N
XLogP4.10
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.47
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3S,6S)-2,3,4,5-tetramethyl-6-[(2S,5S)-2,4,5,6-tetramethyloxan-3-yl]oxyoxane?
The IUPAC name of (3S,6S)-2,3,4,5-tetramethyl-6-[(2S,5S)-2,4,5,6-tetramethyloxan-3-yl]oxyoxane (CID 134973880) is (3S,6S)-2,3,4,5-tetramethyl-6-[(2S,5S)-2,4,5,6-tetramethyloxan-3-yl]oxyoxane.
What is the SMILES notation for (3S,6S)-2,3,4,5-tetramethyl-6-[(2S,5S)-2,4,5,6-tetramethyloxan-3-yl]oxyoxane?
The canonical SMILES for (3S,6S)-2,3,4,5-tetramethyl-6-[(2S,5S)-2,4,5,6-tetramethyloxan-3-yl]oxyoxane is CC1C(C)[C@H](C)C(C)O[C@H]1OC1C(C)[C@H](C)C(C)O[C@H]1C.
What is the InChIKey of (3S,6S)-2,3,4,5-tetramethyl-6-[(2S,5S)-2,4,5,6-tetramethyloxan-3-yl]oxyoxane?
The InChIKey is CEVYMJZWSXUJII-FDHACNMQSA-N. The full InChI is InChI=1S/C18H34O3/c1-9-10(2)15(7)20-18(13(9)5)21-17-12(4)11(3)14(6)19-16(17)8/h9-18H,1-8H3/t9?,10-,11-,12?,13?,14?,15?,16-,17?,18-/m0/s1.
What are the key properties of (3S,6S)-2,3,4,5-tetramethyl-6-[(2S,5S)-2,4,5,6-tetramethyloxan-3-yl]oxyoxane?
(3S,6S)-2,3,4,5-tetramethyl-6-[(2S,5S)-2,4,5,6-tetramethyloxan-3-yl]oxyoxane has a molecular weight of 298.47 g/mol, XLogP of 4.10, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,6S)-2,3,4,5-tetramethyl-6-[(2S,5S)-2,4,5,6-tetramethyloxan-3-yl]oxyoxane is sourced from PubChem (CID 134973880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).