(3R)-3-methoxy-4,4-dimethyloxolan-2-ol

C7H14O3 — CID 45082816

IUPAC(3R)-3-methoxy-4,4-dimethyloxolan-2-ol
SMILESCO[C@H]1C(O)OCC1(C)C
InChIInChI=1S/C7H14O3/c1-7(2)4-10-6(8)5(7)9-3/h5-6,8H,4H2,1-3H3/t5-,6?/m0/s1
InChIKeyVFYJKVIPQITLRZ-ZBHICJROSA-N
MW146.19 g/mol
LogP0.38
Rot. Bonds1

About (3R)-3-methoxy-4,4-dimethyloxolan-2-ol

(3R)-3-methoxy-4,4-dimethyloxolan-2-ol (PubChem CID 45082816) has the molecular formula C7H14O3 and a molecular weight of 146.19 g/mol. Its IUPAC name is (3R)-3-methoxy-4,4-dimethyloxolan-2-ol.

Molecular Properties

Compound Name(3R)-3-methoxy-4,4-dimethyloxolan-2-ol
PubChem CID45082816
Molecular FormulaC7H14O3
Molecular Weight146.19 g/mol
Exact Mass146.09
IUPAC Name(3R)-3-methoxy-4,4-dimethyloxolan-2-ol
SMILESCO[C@H]1C(O)OCC1(C)C
InChIInChI=1S/C7H14O3/c1-7(2)4-10-6(8)5(7)9-3/h5-6,8H,4H2,1-3H3/t5-,6?/m0/s1
InChIKeyVFYJKVIPQITLRZ-ZBHICJROSA-N
XLogP0.38
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.19
LogP ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-methoxy-4,4-dimethyloxolan-2-ol?
The IUPAC name of (3R)-3-methoxy-4,4-dimethyloxolan-2-ol (CID 45082816) is (3R)-3-methoxy-4,4-dimethyloxolan-2-ol.
What is the SMILES notation for (3R)-3-methoxy-4,4-dimethyloxolan-2-ol?
The canonical SMILES for (3R)-3-methoxy-4,4-dimethyloxolan-2-ol is CO[C@H]1C(O)OCC1(C)C.
What is the InChIKey of (3R)-3-methoxy-4,4-dimethyloxolan-2-ol?
The InChIKey is VFYJKVIPQITLRZ-ZBHICJROSA-N. The full InChI is InChI=1S/C7H14O3/c1-7(2)4-10-6(8)5(7)9-3/h5-6,8H,4H2,1-3H3/t5-,6?/m0/s1.
What are the key properties of (3R)-3-methoxy-4,4-dimethyloxolan-2-ol?
(3R)-3-methoxy-4,4-dimethyloxolan-2-ol has a molecular weight of 146.19 g/mol, XLogP of 0.38, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-methoxy-4,4-dimethyloxolan-2-ol is sourced from PubChem (CID 45082816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).