2,2-dimethyloxan-4-ol

C7H14O2 — CID 4914692

IUPAC2,2-dimethyloxan-4-ol
SMILESCC1(C)CC(O)CCO1
InChIInChI=1S/C7H14O2/c1-7(2)5-6(8)3-4-9-7/h6,8H,3-5H2,1-2H3
InChIKeyBONHKCQIMVZXBV-UHFFFAOYSA-N
MW130.19 g/mol
LogP0.94
Rot. Bonds

About 2,2-dimethyloxan-4-ol

2,2-dimethyloxan-4-ol (PubChem CID 4914692) has the molecular formula C7H14O2 and a molecular weight of 130.19 g/mol. Its IUPAC name is 2,2-dimethyloxan-4-ol.

Molecular Properties

Compound Name2,2-dimethyloxan-4-ol
PubChem CID4914692
Molecular FormulaC7H14O2
Molecular Weight130.19 g/mol
Exact Mass130.10
IUPAC Name2,2-dimethyloxan-4-ol
SMILESCC1(C)CC(O)CCO1
InChIInChI=1S/C7H14O2/c1-7(2)5-6(8)3-4-9-7/h6,8H,3-5H2,1-2H3
InChIKeyBONHKCQIMVZXBV-UHFFFAOYSA-N
XLogP0.94
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 ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyloxan-4-ol?
The IUPAC name of 2,2-dimethyloxan-4-ol (CID 4914692) is 2,2-dimethyloxan-4-ol.
What is the SMILES notation for 2,2-dimethyloxan-4-ol?
The canonical SMILES for 2,2-dimethyloxan-4-ol is CC1(C)CC(O)CCO1.
What is the InChIKey of 2,2-dimethyloxan-4-ol?
The InChIKey is BONHKCQIMVZXBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14O2/c1-7(2)5-6(8)3-4-9-7/h6,8H,3-5H2,1-2H3.
What are the key properties of 2,2-dimethyloxan-4-ol?
2,2-dimethyloxan-4-ol has a molecular weight of 130.19 g/mol, XLogP of 0.94, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyloxan-4-ol is sourced from PubChem (CID 4914692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).