(4R,6S)-4,6-dimethyloxan-2-ol

C7H14O2 — CID 10034665

IUPAC(4R,6S)-4,6-dimethyloxan-2-ol
SMILESC[C@H]1CC(O)O[C@@H](C)C1
InChIInChI=1S/C7H14O2/c1-5-3-6(2)9-7(8)4-5/h5-8H,3-4H2,1-2H3/t5-,6+,7?/m1/s1
InChIKeyVNIYGPQDZZAGMJ-JEAXJGTLSA-N
MW130.19 g/mol
LogP1.14
Rot. Bonds

About (4R,6S)-4,6-dimethyloxan-2-ol

(4R,6S)-4,6-dimethyloxan-2-ol (PubChem CID 10034665) has the molecular formula C7H14O2 and a molecular weight of 130.19 g/mol. Its IUPAC name is (4R,6S)-4,6-dimethyloxan-2-ol.

Molecular Properties

Compound Name(4R,6S)-4,6-dimethyloxan-2-ol
PubChem CID10034665
Molecular FormulaC7H14O2
Molecular Weight130.19 g/mol
Exact Mass130.10
IUPAC Name(4R,6S)-4,6-dimethyloxan-2-ol
SMILESC[C@H]1CC(O)O[C@@H](C)C1
InChIInChI=1S/C7H14O2/c1-5-3-6(2)9-7(8)4-5/h5-8H,3-4H2,1-2H3/t5-,6+,7?/m1/s1
InChIKeyVNIYGPQDZZAGMJ-JEAXJGTLSA-N
XLogP1.14
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 ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4R,6S)-4,6-dimethyloxan-2-ol?
The IUPAC name of (4R,6S)-4,6-dimethyloxan-2-ol (CID 10034665) is (4R,6S)-4,6-dimethyloxan-2-ol.
What is the SMILES notation for (4R,6S)-4,6-dimethyloxan-2-ol?
The canonical SMILES for (4R,6S)-4,6-dimethyloxan-2-ol is C[C@H]1CC(O)O[C@@H](C)C1.
What is the InChIKey of (4R,6S)-4,6-dimethyloxan-2-ol?
The InChIKey is VNIYGPQDZZAGMJ-JEAXJGTLSA-N. The full InChI is InChI=1S/C7H14O2/c1-5-3-6(2)9-7(8)4-5/h5-8H,3-4H2,1-2H3/t5-,6+,7?/m1/s1.
What are the key properties of (4R,6S)-4,6-dimethyloxan-2-ol?
(4R,6S)-4,6-dimethyloxan-2-ol has a molecular weight of 130.19 g/mol, XLogP of 1.14, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,6S)-4,6-dimethyloxan-2-ol is sourced from PubChem (CID 10034665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).