2-(1-cyclohexa-1,3-dien-1-ylpropan-2-yloxy)oxane

C14H22O2 — CID 559157

IUPAC2-(1-cyclohexa-1,3-dien-1-ylpropan-2-yloxy)oxane
SMILESCC(CC1=CC=CCC1)OC1CCCCO1
InChIInChI=1S/C14H22O2/c1-12(11-13-7-3-2-4-8-13)16-14-9-5-6-10-15-14/h2-3,7,12,14H,4-6,8-11H2,1H3
InChIKeyNXSXCSYWKSDNQM-UHFFFAOYSA-N
MW222.33 g/mol
LogP3.58
Rot. Bonds4

About 2-(1-cyclohexa-1,3-dien-1-ylpropan-2-yloxy)oxane

2-(1-cyclohexa-1,3-dien-1-ylpropan-2-yloxy)oxane (PubChem CID 559157) has the molecular formula C14H22O2 and a molecular weight of 222.33 g/mol. Its IUPAC name is 2-(1-cyclohexa-1,3-dien-1-ylpropan-2-yloxy)oxane.

Molecular Properties

Compound Name2-(1-cyclohexa-1,3-dien-1-ylpropan-2-yloxy)oxane
PubChem CID559157
Molecular FormulaC14H22O2
Molecular Weight222.33 g/mol
Exact Mass222.16
IUPAC Name2-(1-cyclohexa-1,3-dien-1-ylpropan-2-yloxy)oxane
SMILESCC(CC1=CC=CCC1)OC1CCCCO1
InChIInChI=1S/C14H22O2/c1-12(11-13-7-3-2-4-8-13)16-14-9-5-6-10-15-14/h2-3,7,12,14H,4-6,8-11H2,1H3
InChIKeyNXSXCSYWKSDNQM-UHFFFAOYSA-N
XLogP3.58
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(1-cyclohexa-1,3-dien-1-ylpropan-2-yloxy)oxane?
The IUPAC name of 2-(1-cyclohexa-1,3-dien-1-ylpropan-2-yloxy)oxane (CID 559157) is 2-(1-cyclohexa-1,3-dien-1-ylpropan-2-yloxy)oxane.
What is the SMILES notation for 2-(1-cyclohexa-1,3-dien-1-ylpropan-2-yloxy)oxane?
The canonical SMILES for 2-(1-cyclohexa-1,3-dien-1-ylpropan-2-yloxy)oxane is CC(CC1=CC=CCC1)OC1CCCCO1.
What is the InChIKey of 2-(1-cyclohexa-1,3-dien-1-ylpropan-2-yloxy)oxane?
The InChIKey is NXSXCSYWKSDNQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O2/c1-12(11-13-7-3-2-4-8-13)16-14-9-5-6-10-15-14/h2-3,7,12,14H,4-6,8-11H2,1H3.
What are the key properties of 2-(1-cyclohexa-1,3-dien-1-ylpropan-2-yloxy)oxane?
2-(1-cyclohexa-1,3-dien-1-ylpropan-2-yloxy)oxane has a molecular weight of 222.33 g/mol, XLogP of 3.58, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-cyclohexa-1,3-dien-1-ylpropan-2-yloxy)oxane is sourced from PubChem (CID 559157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).