3-(3,5-dimethylcyclohexa-1,3-dien-1-yl)oxyoxolane

C12H18O2 — CID 123774750

IUPAC3-(3,5-dimethylcyclohexa-1,3-dien-1-yl)oxyoxolane
SMILESCC1=CC(C)CC(OC2CCOC2)=C1
InChIInChI=1S/C12H18O2/c1-9-5-10(2)7-12(6-9)14-11-3-4-13-8-11/h5-6,10-11H,3-4,7-8H2,1-2H3
InChIKeyRLHBMCGDBWKOKH-UHFFFAOYSA-N
MW194.27 g/mol
LogP2.66
Rot. Bonds2

About 3-(3,5-dimethylcyclohexa-1,3-dien-1-yl)oxyoxolane

3-(3,5-dimethylcyclohexa-1,3-dien-1-yl)oxyoxolane (PubChem CID 123774750) has the molecular formula C12H18O2 and a molecular weight of 194.27 g/mol. Its IUPAC name is 3-(3,5-dimethylcyclohexa-1,3-dien-1-yl)oxyoxolane.

Molecular Properties

Compound Name3-(3,5-dimethylcyclohexa-1,3-dien-1-yl)oxyoxolane
PubChem CID123774750
Molecular FormulaC12H18O2
Molecular Weight194.27 g/mol
Exact Mass194.13
IUPAC Name3-(3,5-dimethylcyclohexa-1,3-dien-1-yl)oxyoxolane
SMILESCC1=CC(C)CC(OC2CCOC2)=C1
InChIInChI=1S/C12H18O2/c1-9-5-10(2)7-12(6-9)14-11-3-4-13-8-11/h5-6,10-11H,3-4,7-8H2,1-2H3
InChIKeyRLHBMCGDBWKOKH-UHFFFAOYSA-N
XLogP2.66
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.27
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethylcyclohexa-1,3-dien-1-yl)oxyoxolane?
The IUPAC name of 3-(3,5-dimethylcyclohexa-1,3-dien-1-yl)oxyoxolane (CID 123774750) is 3-(3,5-dimethylcyclohexa-1,3-dien-1-yl)oxyoxolane.
What is the SMILES notation for 3-(3,5-dimethylcyclohexa-1,3-dien-1-yl)oxyoxolane?
The canonical SMILES for 3-(3,5-dimethylcyclohexa-1,3-dien-1-yl)oxyoxolane is CC1=CC(C)CC(OC2CCOC2)=C1.
What is the InChIKey of 3-(3,5-dimethylcyclohexa-1,3-dien-1-yl)oxyoxolane?
The InChIKey is RLHBMCGDBWKOKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O2/c1-9-5-10(2)7-12(6-9)14-11-3-4-13-8-11/h5-6,10-11H,3-4,7-8H2,1-2H3.
What are the key properties of 3-(3,5-dimethylcyclohexa-1,3-dien-1-yl)oxyoxolane?
3-(3,5-dimethylcyclohexa-1,3-dien-1-yl)oxyoxolane has a molecular weight of 194.27 g/mol, XLogP of 2.66, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethylcyclohexa-1,3-dien-1-yl)oxyoxolane is sourced from PubChem (CID 123774750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).