5-methylidene-2,6-di(propan-2-yloxy)cyclohexa-1,3-diene

C13H20O2 — CID 66685881

IUPAC5-methylidene-2,6-di(propan-2-yloxy)cyclohexa-1,3-diene
SMILESC=C1C=CC(OC(C)C)=CC1OC(C)C
InChIInChI=1S/C13H20O2/c1-9(2)14-12-7-6-11(5)13(8-12)15-10(3)4/h6-10,13H,5H2,1-4H3
InChIKeyLCYPTDHGWSPBKF-UHFFFAOYSA-N
MW208.30 g/mol
LogP3.21
Rot. Bonds4

About 5-methylidene-2,6-di(propan-2-yloxy)cyclohexa-1,3-diene

5-methylidene-2,6-di(propan-2-yloxy)cyclohexa-1,3-diene (PubChem CID 66685881) has the molecular formula C13H20O2 and a molecular weight of 208.30 g/mol. Its IUPAC name is 5-methylidene-2,6-di(propan-2-yloxy)cyclohexa-1,3-diene.

Molecular Properties

Compound Name5-methylidene-2,6-di(propan-2-yloxy)cyclohexa-1,3-diene
PubChem CID66685881
Molecular FormulaC13H20O2
Molecular Weight208.30 g/mol
Exact Mass208.15
IUPAC Name5-methylidene-2,6-di(propan-2-yloxy)cyclohexa-1,3-diene
SMILESC=C1C=CC(OC(C)C)=CC1OC(C)C
InChIInChI=1S/C13H20O2/c1-9(2)14-12-7-6-11(5)13(8-12)15-10(3)4/h6-10,13H,5H2,1-4H3
InChIKeyLCYPTDHGWSPBKF-UHFFFAOYSA-N
XLogP3.21
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-methylidene-2,6-di(propan-2-yloxy)cyclohexa-1,3-diene?
The IUPAC name of 5-methylidene-2,6-di(propan-2-yloxy)cyclohexa-1,3-diene (CID 66685881) is 5-methylidene-2,6-di(propan-2-yloxy)cyclohexa-1,3-diene.
What is the SMILES notation for 5-methylidene-2,6-di(propan-2-yloxy)cyclohexa-1,3-diene?
The canonical SMILES for 5-methylidene-2,6-di(propan-2-yloxy)cyclohexa-1,3-diene is C=C1C=CC(OC(C)C)=CC1OC(C)C.
What is the InChIKey of 5-methylidene-2,6-di(propan-2-yloxy)cyclohexa-1,3-diene?
The InChIKey is LCYPTDHGWSPBKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O2/c1-9(2)14-12-7-6-11(5)13(8-12)15-10(3)4/h6-10,13H,5H2,1-4H3.
What are the key properties of 5-methylidene-2,6-di(propan-2-yloxy)cyclohexa-1,3-diene?
5-methylidene-2,6-di(propan-2-yloxy)cyclohexa-1,3-diene has a molecular weight of 208.30 g/mol, XLogP of 3.21, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methylidene-2,6-di(propan-2-yloxy)cyclohexa-1,3-diene is sourced from PubChem (CID 66685881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).