2,2-dimethyl-1,3-dioxepan-5-ol

C7H14O3 — CID 15176638

IUPAC2,2-dimethyl-1,3-dioxepan-5-ol
SMILESCC1(C)OCCC(O)CO1
InChIInChI=1S/C7H14O3/c1-7(2)9-4-3-6(8)5-10-7/h6,8H,3-5H2,1-2H3
InChIKeyDGBCMXNLXXITDO-UHFFFAOYSA-N
MW146.19 g/mol
LogP0.52
Rot. Bonds

About 2,2-dimethyl-1,3-dioxepan-5-ol

2,2-dimethyl-1,3-dioxepan-5-ol (PubChem CID 15176638) has the molecular formula C7H14O3 and a molecular weight of 146.19 g/mol. Its IUPAC name is 2,2-dimethyl-1,3-dioxepan-5-ol.

Molecular Properties

Compound Name2,2-dimethyl-1,3-dioxepan-5-ol
PubChem CID15176638
Molecular FormulaC7H14O3
Molecular Weight146.19 g/mol
Exact Mass146.09
IUPAC Name2,2-dimethyl-1,3-dioxepan-5-ol
SMILESCC1(C)OCCC(O)CO1
InChIInChI=1S/C7H14O3/c1-7(2)9-4-3-6(8)5-10-7/h6,8H,3-5H2,1-2H3
InChIKeyDGBCMXNLXXITDO-UHFFFAOYSA-N
XLogP0.52
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.19
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-1,3-dioxepan-5-ol?
The IUPAC name of 2,2-dimethyl-1,3-dioxepan-5-ol (CID 15176638) is 2,2-dimethyl-1,3-dioxepan-5-ol.
What is the SMILES notation for 2,2-dimethyl-1,3-dioxepan-5-ol?
The canonical SMILES for 2,2-dimethyl-1,3-dioxepan-5-ol is CC1(C)OCCC(O)CO1.
What is the InChIKey of 2,2-dimethyl-1,3-dioxepan-5-ol?
The InChIKey is DGBCMXNLXXITDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14O3/c1-7(2)9-4-3-6(8)5-10-7/h6,8H,3-5H2,1-2H3.
What are the key properties of 2,2-dimethyl-1,3-dioxepan-5-ol?
2,2-dimethyl-1,3-dioxepan-5-ol has a molecular weight of 146.19 g/mol, XLogP of 0.52, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-1,3-dioxepan-5-ol is sourced from PubChem (CID 15176638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).