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

C7H14O2 — CID 142116366

IUPAC(2R)-4,6-dimethyloxan-2-ol
SMILESCC1CC(C)O[C@@H](O)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-KPGICGJXSA-N
MW130.19 g/mol
LogP1.14
Rot. Bonds

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

(2R)-4,6-dimethyloxan-2-ol (PubChem CID 142116366) has the molecular formula C7H14O2 and a molecular weight of 130.19 g/mol. Its IUPAC name is (2R)-4,6-dimethyloxan-2-ol.

Molecular Properties

Compound Name(2R)-4,6-dimethyloxan-2-ol
PubChem CID142116366
Molecular FormulaC7H14O2
Molecular Weight130.19 g/mol
Exact Mass130.10
IUPAC Name(2R)-4,6-dimethyloxan-2-ol
SMILESCC1CC(C)O[C@@H](O)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-KPGICGJXSA-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 (2R)-4,6-dimethyloxan-2-ol?
The IUPAC name of (2R)-4,6-dimethyloxan-2-ol (CID 142116366) is (2R)-4,6-dimethyloxan-2-ol.
What is the SMILES notation for (2R)-4,6-dimethyloxan-2-ol?
The canonical SMILES for (2R)-4,6-dimethyloxan-2-ol is CC1CC(C)O[C@@H](O)C1.
What is the InChIKey of (2R)-4,6-dimethyloxan-2-ol?
The InChIKey is VNIYGPQDZZAGMJ-KPGICGJXSA-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 (2R)-4,6-dimethyloxan-2-ol?
(2R)-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 (2R)-4,6-dimethyloxan-2-ol is sourced from PubChem (CID 142116366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).