5-methoxy-6,6-dimethyloxan-2-ol

C8H16O3 — CID 77491775

IUPAC5-methoxy-6,6-dimethyloxan-2-ol
SMILESCOC1CCC(O)OC1(C)C
InChIInChI=1S/C8H16O3/c1-8(2)6(10-3)4-5-7(9)11-8/h6-7,9H,4-5H2,1-3H3
InChIKeyABBDPLAVHOCSCU-UHFFFAOYSA-N
MW160.21 g/mol
LogP0.91
Rot. Bonds1

About 5-methoxy-6,6-dimethyloxan-2-ol

5-methoxy-6,6-dimethyloxan-2-ol (PubChem CID 77491775) has the molecular formula C8H16O3 and a molecular weight of 160.21 g/mol. Its IUPAC name is 5-methoxy-6,6-dimethyloxan-2-ol.

Molecular Properties

Compound Name5-methoxy-6,6-dimethyloxan-2-ol
PubChem CID77491775
Molecular FormulaC8H16O3
Molecular Weight160.21 g/mol
Exact Mass160.11
IUPAC Name5-methoxy-6,6-dimethyloxan-2-ol
SMILESCOC1CCC(O)OC1(C)C
InChIInChI=1S/C8H16O3/c1-8(2)6(10-3)4-5-7(9)11-8/h6-7,9H,4-5H2,1-3H3
InChIKeyABBDPLAVHOCSCU-UHFFFAOYSA-N
XLogP0.91
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.21
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-6,6-dimethyloxan-2-ol?
The IUPAC name of 5-methoxy-6,6-dimethyloxan-2-ol (CID 77491775) is 5-methoxy-6,6-dimethyloxan-2-ol.
What is the SMILES notation for 5-methoxy-6,6-dimethyloxan-2-ol?
The canonical SMILES for 5-methoxy-6,6-dimethyloxan-2-ol is COC1CCC(O)OC1(C)C.
What is the InChIKey of 5-methoxy-6,6-dimethyloxan-2-ol?
The InChIKey is ABBDPLAVHOCSCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O3/c1-8(2)6(10-3)4-5-7(9)11-8/h6-7,9H,4-5H2,1-3H3.
What are the key properties of 5-methoxy-6,6-dimethyloxan-2-ol?
5-methoxy-6,6-dimethyloxan-2-ol has a molecular weight of 160.21 g/mol, XLogP of 0.91, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-6,6-dimethyloxan-2-ol is sourced from PubChem (CID 77491775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).