(2R,3R,4R,5S)-2-(2,2-dimethylpropyl)-4-methoxy-3,5-dimethyloxolane;ethane

C14H30O2 — CID 164991264

IUPAC(2R,3R,4R,5S)-2-(2,2-dimethylpropyl)-4-methoxy-3,5-dimethyloxolane;ethane
SMILESCC.CO[C@@H]1[C@H](C)[C@@H](CC(C)(C)C)O[C@H]1C
InChIInChI=1S/C12H24O2.C2H6/c1-8-10(7-12(3,4)5)14-9(2)11(8)13-6;1-2/h8-11H,7H2,1-6H3;1-2H3/t8-,9+,10-,11-;/m1./s1
InChIKeyGWRXDMIHUGAMPP-QCUZDTNBSA-N
MW230.39 g/mol
LogP3.89
Rot. Bonds2

About (2R,3R,4R,5S)-2-(2,2-dimethylpropyl)-4-methoxy-3,5-dimethyloxolane;ethane

(2R,3R,4R,5S)-2-(2,2-dimethylpropyl)-4-methoxy-3,5-dimethyloxolane;ethane (PubChem CID 164991264) has the molecular formula C14H30O2 and a molecular weight of 230.39 g/mol. Its IUPAC name is (2R,3R,4R,5S)-2-(2,2-dimethylpropyl)-4-methoxy-3,5-dimethyloxolane;ethane.

Molecular Properties

Compound Name(2R,3R,4R,5S)-2-(2,2-dimethylpropyl)-4-methoxy-3,5-dimethyloxolane;ethane
PubChem CID164991264
Molecular FormulaC14H30O2
Molecular Weight230.39 g/mol
Exact Mass230.22
IUPAC Name(2R,3R,4R,5S)-2-(2,2-dimethylpropyl)-4-methoxy-3,5-dimethyloxolane;ethane
SMILESCC.CO[C@@H]1[C@H](C)[C@@H](CC(C)(C)C)O[C@H]1C
InChIInChI=1S/C12H24O2.C2H6/c1-8-10(7-12(3,4)5)14-9(2)11(8)13-6;1-2/h8-11H,7H2,1-6H3;1-2H3/t8-,9+,10-,11-;/m1./s1
InChIKeyGWRXDMIHUGAMPP-QCUZDTNBSA-N
XLogP3.89
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.39
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R,3R,4R,5S)-2-(2,2-dimethylpropyl)-4-methoxy-3,5-dimethyloxolane;ethane?
The IUPAC name of (2R,3R,4R,5S)-2-(2,2-dimethylpropyl)-4-methoxy-3,5-dimethyloxolane;ethane (CID 164991264) is (2R,3R,4R,5S)-2-(2,2-dimethylpropyl)-4-methoxy-3,5-dimethyloxolane;ethane.
What is the SMILES notation for (2R,3R,4R,5S)-2-(2,2-dimethylpropyl)-4-methoxy-3,5-dimethyloxolane;ethane?
The canonical SMILES for (2R,3R,4R,5S)-2-(2,2-dimethylpropyl)-4-methoxy-3,5-dimethyloxolane;ethane is CC.CO[C@@H]1[C@H](C)[C@@H](CC(C)(C)C)O[C@H]1C.
What is the InChIKey of (2R,3R,4R,5S)-2-(2,2-dimethylpropyl)-4-methoxy-3,5-dimethyloxolane;ethane?
The InChIKey is GWRXDMIHUGAMPP-QCUZDTNBSA-N. The full InChI is InChI=1S/C12H24O2.C2H6/c1-8-10(7-12(3,4)5)14-9(2)11(8)13-6;1-2/h8-11H,7H2,1-6H3;1-2H3/t8-,9+,10-,11-;/m1./s1.
What are the key properties of (2R,3R,4R,5S)-2-(2,2-dimethylpropyl)-4-methoxy-3,5-dimethyloxolane;ethane?
(2R,3R,4R,5S)-2-(2,2-dimethylpropyl)-4-methoxy-3,5-dimethyloxolane;ethane has a molecular weight of 230.39 g/mol, XLogP of 3.89, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4R,5S)-2-(2,2-dimethylpropyl)-4-methoxy-3,5-dimethyloxolane;ethane is sourced from PubChem (CID 164991264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).