(2R,3S)-2-methyl-3-(oxan-2-yloxy)butan-1-ol

C10H20O3 — CID 11194794

IUPAC(2R,3S)-2-methyl-3-(oxan-2-yloxy)butan-1-ol
SMILESC[C@H](CO)[C@H](C)OC1CCCCO1
InChIInChI=1S/C10H20O3/c1-8(7-11)9(2)13-10-5-3-4-6-12-10/h8-11H,3-7H2,1-2H3/t8-,9+,10?/m1/s1
InChIKeyPQLRCOXRPYWNKF-ZDGBYWQASA-N
MW188.27 g/mol
LogP1.55
Rot. Bonds4

About (2R,3S)-2-methyl-3-(oxan-2-yloxy)butan-1-ol

(2R,3S)-2-methyl-3-(oxan-2-yloxy)butan-1-ol (PubChem CID 11194794) has the molecular formula C10H20O3 and a molecular weight of 188.27 g/mol. Its IUPAC name is (2R,3S)-2-methyl-3-(oxan-2-yloxy)butan-1-ol.

Molecular Properties

Compound Name(2R,3S)-2-methyl-3-(oxan-2-yloxy)butan-1-ol
PubChem CID11194794
Molecular FormulaC10H20O3
Molecular Weight188.27 g/mol
Exact Mass188.14
IUPAC Name(2R,3S)-2-methyl-3-(oxan-2-yloxy)butan-1-ol
SMILESC[C@H](CO)[C@H](C)OC1CCCCO1
InChIInChI=1S/C10H20O3/c1-8(7-11)9(2)13-10-5-3-4-6-12-10/h8-11H,3-7H2,1-2H3/t8-,9+,10?/m1/s1
InChIKeyPQLRCOXRPYWNKF-ZDGBYWQASA-N
XLogP1.55
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R,3S)-2-methyl-3-(oxan-2-yloxy)butan-1-ol?
The IUPAC name of (2R,3S)-2-methyl-3-(oxan-2-yloxy)butan-1-ol (CID 11194794) is (2R,3S)-2-methyl-3-(oxan-2-yloxy)butan-1-ol.
What is the SMILES notation for (2R,3S)-2-methyl-3-(oxan-2-yloxy)butan-1-ol?
The canonical SMILES for (2R,3S)-2-methyl-3-(oxan-2-yloxy)butan-1-ol is C[C@H](CO)[C@H](C)OC1CCCCO1.
What is the InChIKey of (2R,3S)-2-methyl-3-(oxan-2-yloxy)butan-1-ol?
The InChIKey is PQLRCOXRPYWNKF-ZDGBYWQASA-N. The full InChI is InChI=1S/C10H20O3/c1-8(7-11)9(2)13-10-5-3-4-6-12-10/h8-11H,3-7H2,1-2H3/t8-,9+,10?/m1/s1.
What are the key properties of (2R,3S)-2-methyl-3-(oxan-2-yloxy)butan-1-ol?
(2R,3S)-2-methyl-3-(oxan-2-yloxy)butan-1-ol has a molecular weight of 188.27 g/mol, XLogP of 1.55, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-2-methyl-3-(oxan-2-yloxy)butan-1-ol is sourced from PubChem (CID 11194794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).