(2R,3R,4S)-2-[(2S)-butan-2-yl]-3,4-dimethyloxolane

C10H20O — CID 130283506

IUPAC(2R,3R,4S)-2-[(2S)-butan-2-yl]-3,4-dimethyloxolane
SMILESCC[C@H](C)[C@H]1OC[C@@H](C)[C@H]1C
InChIInChI=1S/C10H20O/c1-5-7(2)10-9(4)8(3)6-11-10/h7-10H,5-6H2,1-4H3/t7-,8+,9+,10+/m0/s1
InChIKeyCSXHGOMTANHOQG-SGIHWFKDSA-N
MW156.27 g/mol
LogP2.70
Rot. Bonds2

About (2R,3R,4S)-2-[(2S)-butan-2-yl]-3,4-dimethyloxolane

(2R,3R,4S)-2-[(2S)-butan-2-yl]-3,4-dimethyloxolane (PubChem CID 130283506) has the molecular formula C10H20O and a molecular weight of 156.27 g/mol. Its IUPAC name is (2R,3R,4S)-2-[(2S)-butan-2-yl]-3,4-dimethyloxolane.

Molecular Properties

Compound Name(2R,3R,4S)-2-[(2S)-butan-2-yl]-3,4-dimethyloxolane
PubChem CID130283506
Molecular FormulaC10H20O
Molecular Weight156.27 g/mol
Exact Mass156.15
IUPAC Name(2R,3R,4S)-2-[(2S)-butan-2-yl]-3,4-dimethyloxolane
SMILESCC[C@H](C)[C@H]1OC[C@@H](C)[C@H]1C
InChIInChI=1S/C10H20O/c1-5-7(2)10-9(4)8(3)6-11-10/h7-10H,5-6H2,1-4H3/t7-,8+,9+,10+/m0/s1
InChIKeyCSXHGOMTANHOQG-SGIHWFKDSA-N
XLogP2.70
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.27
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2R,3R,4S)-2-[(2S)-butan-2-yl]-3,4-dimethyloxolane?
The IUPAC name of (2R,3R,4S)-2-[(2S)-butan-2-yl]-3,4-dimethyloxolane (CID 130283506) is (2R,3R,4S)-2-[(2S)-butan-2-yl]-3,4-dimethyloxolane.
What is the SMILES notation for (2R,3R,4S)-2-[(2S)-butan-2-yl]-3,4-dimethyloxolane?
The canonical SMILES for (2R,3R,4S)-2-[(2S)-butan-2-yl]-3,4-dimethyloxolane is CC[C@H](C)[C@H]1OC[C@@H](C)[C@H]1C.
What is the InChIKey of (2R,3R,4S)-2-[(2S)-butan-2-yl]-3,4-dimethyloxolane?
The InChIKey is CSXHGOMTANHOQG-SGIHWFKDSA-N. The full InChI is InChI=1S/C10H20O/c1-5-7(2)10-9(4)8(3)6-11-10/h7-10H,5-6H2,1-4H3/t7-,8+,9+,10+/m0/s1.
What are the key properties of (2R,3R,4S)-2-[(2S)-butan-2-yl]-3,4-dimethyloxolane?
(2R,3R,4S)-2-[(2S)-butan-2-yl]-3,4-dimethyloxolane has a molecular weight of 156.27 g/mol, XLogP of 2.70, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4S)-2-[(2S)-butan-2-yl]-3,4-dimethyloxolane is sourced from PubChem (CID 130283506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).