5,5,6-trimethyl-2-methylidene-1,3-dioxepane

C9H16O2 — CID 169323690

IUPAC5,5,6-trimethyl-2-methylidene-1,3-dioxepane
SMILESC=C1OCC(C)C(C)(C)CO1
InChIInChI=1S/C9H16O2/c1-7-5-10-8(2)11-6-9(7,3)4/h7H,2,5-6H2,1,3-4H3
InChIKeyIVIJOUVOCIFDTQ-UHFFFAOYSA-N
MW156.22 g/mol
LogP2.17
Rot. Bonds

About 5,5,6-trimethyl-2-methylidene-1,3-dioxepane

5,5,6-trimethyl-2-methylidene-1,3-dioxepane (PubChem CID 169323690) has the molecular formula C9H16O2 and a molecular weight of 156.22 g/mol. Its IUPAC name is 5,5,6-trimethyl-2-methylidene-1,3-dioxepane.

Molecular Properties

Compound Name5,5,6-trimethyl-2-methylidene-1,3-dioxepane
PubChem CID169323690
Molecular FormulaC9H16O2
Molecular Weight156.22 g/mol
Exact Mass156.12
IUPAC Name5,5,6-trimethyl-2-methylidene-1,3-dioxepane
SMILESC=C1OCC(C)C(C)(C)CO1
InChIInChI=1S/C9H16O2/c1-7-5-10-8(2)11-6-9(7,3)4/h7H,2,5-6H2,1,3-4H3
InChIKeyIVIJOUVOCIFDTQ-UHFFFAOYSA-N
XLogP2.17
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.22
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5,5,6-trimethyl-2-methylidene-1,3-dioxepane?
The IUPAC name of 5,5,6-trimethyl-2-methylidene-1,3-dioxepane (CID 169323690) is 5,5,6-trimethyl-2-methylidene-1,3-dioxepane.
What is the SMILES notation for 5,5,6-trimethyl-2-methylidene-1,3-dioxepane?
The canonical SMILES for 5,5,6-trimethyl-2-methylidene-1,3-dioxepane is C=C1OCC(C)C(C)(C)CO1.
What is the InChIKey of 5,5,6-trimethyl-2-methylidene-1,3-dioxepane?
The InChIKey is IVIJOUVOCIFDTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O2/c1-7-5-10-8(2)11-6-9(7,3)4/h7H,2,5-6H2,1,3-4H3.
What are the key properties of 5,5,6-trimethyl-2-methylidene-1,3-dioxepane?
5,5,6-trimethyl-2-methylidene-1,3-dioxepane has a molecular weight of 156.22 g/mol, XLogP of 2.17, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5,6-trimethyl-2-methylidene-1,3-dioxepane is sourced from PubChem (CID 169323690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).