(5R)-3,5-dimethyloxan-3-ol

C7H14O2 — CID 134289610

IUPAC(5R)-3,5-dimethyloxan-3-ol
SMILESC[C@H]1COCC(C)(O)C1
InChIInChI=1S/C7H14O2/c1-6-3-7(2,8)5-9-4-6/h6,8H,3-5H2,1-2H3/t6-,7?/m1/s1
InChIKeyCVIVSWVWOFVYTA-ULUSZKPHSA-N
MW130.19 g/mol
LogP0.79
Rot. Bonds

About (5R)-3,5-dimethyloxan-3-ol

(5R)-3,5-dimethyloxan-3-ol (PubChem CID 134289610) has the molecular formula C7H14O2 and a molecular weight of 130.19 g/mol. Its IUPAC name is (5R)-3,5-dimethyloxan-3-ol.

Molecular Properties

Compound Name(5R)-3,5-dimethyloxan-3-ol
PubChem CID134289610
Molecular FormulaC7H14O2
Molecular Weight130.19 g/mol
Exact Mass130.10
IUPAC Name(5R)-3,5-dimethyloxan-3-ol
SMILESC[C@H]1COCC(C)(O)C1
InChIInChI=1S/C7H14O2/c1-6-3-7(2,8)5-9-4-6/h6,8H,3-5H2,1-2H3/t6-,7?/m1/s1
InChIKeyCVIVSWVWOFVYTA-ULUSZKPHSA-N
XLogP0.79
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.19
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5R)-3,5-dimethyloxan-3-ol?
The IUPAC name of (5R)-3,5-dimethyloxan-3-ol (CID 134289610) is (5R)-3,5-dimethyloxan-3-ol.
What is the SMILES notation for (5R)-3,5-dimethyloxan-3-ol?
The canonical SMILES for (5R)-3,5-dimethyloxan-3-ol is C[C@H]1COCC(C)(O)C1.
What is the InChIKey of (5R)-3,5-dimethyloxan-3-ol?
The InChIKey is CVIVSWVWOFVYTA-ULUSZKPHSA-N. The full InChI is InChI=1S/C7H14O2/c1-6-3-7(2,8)5-9-4-6/h6,8H,3-5H2,1-2H3/t6-,7?/m1/s1.
What are the key properties of (5R)-3,5-dimethyloxan-3-ol?
(5R)-3,5-dimethyloxan-3-ol has a molecular weight of 130.19 g/mol, XLogP of 0.79, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-3,5-dimethyloxan-3-ol is sourced from PubChem (CID 134289610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).