5-(1,4-dimethylcyclohexa-2,4-dien-1-yl)oxy-2,5-dimethylcyclohexa-1,3-diene

C16H22O — CID 90203194

IUPAC5-(1,4-dimethylcyclohexa-2,4-dien-1-yl)oxy-2,5-dimethylcyclohexa-1,3-diene
SMILESCC1=CCC(C)(OC2(C)C=CC(C)=CC2)C=C1
InChIInChI=1S/C16H22O/c1-13-5-9-15(3,10-6-13)17-16(4)11-7-14(2)8-12-16/h5-9,11H,10,12H2,1-4H3
InChIKeySJUYAEJVZYZLMQ-UHFFFAOYSA-N
MW230.35 g/mol
LogP4.33
Rot. Bonds2

About 5-(1,4-dimethylcyclohexa-2,4-dien-1-yl)oxy-2,5-dimethylcyclohexa-1,3-diene

5-(1,4-dimethylcyclohexa-2,4-dien-1-yl)oxy-2,5-dimethylcyclohexa-1,3-diene (PubChem CID 90203194) has the molecular formula C16H22O and a molecular weight of 230.35 g/mol. Its IUPAC name is 5-(1,4-dimethylcyclohexa-2,4-dien-1-yl)oxy-2,5-dimethylcyclohexa-1,3-diene.

Molecular Properties

Compound Name5-(1,4-dimethylcyclohexa-2,4-dien-1-yl)oxy-2,5-dimethylcyclohexa-1,3-diene
PubChem CID90203194
Molecular FormulaC16H22O
Molecular Weight230.35 g/mol
Exact Mass230.17
IUPAC Name5-(1,4-dimethylcyclohexa-2,4-dien-1-yl)oxy-2,5-dimethylcyclohexa-1,3-diene
SMILESCC1=CCC(C)(OC2(C)C=CC(C)=CC2)C=C1
InChIInChI=1S/C16H22O/c1-13-5-9-15(3,10-6-13)17-16(4)11-7-14(2)8-12-16/h5-9,11H,10,12H2,1-4H3
InChIKeySJUYAEJVZYZLMQ-UHFFFAOYSA-N
XLogP4.33
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-(1,4-dimethylcyclohexa-2,4-dien-1-yl)oxy-2,5-dimethylcyclohexa-1,3-diene?
The IUPAC name of 5-(1,4-dimethylcyclohexa-2,4-dien-1-yl)oxy-2,5-dimethylcyclohexa-1,3-diene (CID 90203194) is 5-(1,4-dimethylcyclohexa-2,4-dien-1-yl)oxy-2,5-dimethylcyclohexa-1,3-diene.
What is the SMILES notation for 5-(1,4-dimethylcyclohexa-2,4-dien-1-yl)oxy-2,5-dimethylcyclohexa-1,3-diene?
The canonical SMILES for 5-(1,4-dimethylcyclohexa-2,4-dien-1-yl)oxy-2,5-dimethylcyclohexa-1,3-diene is CC1=CCC(C)(OC2(C)C=CC(C)=CC2)C=C1.
What is the InChIKey of 5-(1,4-dimethylcyclohexa-2,4-dien-1-yl)oxy-2,5-dimethylcyclohexa-1,3-diene?
The InChIKey is SJUYAEJVZYZLMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22O/c1-13-5-9-15(3,10-6-13)17-16(4)11-7-14(2)8-12-16/h5-9,11H,10,12H2,1-4H3.
What are the key properties of 5-(1,4-dimethylcyclohexa-2,4-dien-1-yl)oxy-2,5-dimethylcyclohexa-1,3-diene?
5-(1,4-dimethylcyclohexa-2,4-dien-1-yl)oxy-2,5-dimethylcyclohexa-1,3-diene has a molecular weight of 230.35 g/mol, XLogP of 4.33, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,4-dimethylcyclohexa-2,4-dien-1-yl)oxy-2,5-dimethylcyclohexa-1,3-diene is sourced from PubChem (CID 90203194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).