5-butan-2-yl-2-[(2-methylpropan-2-yl)oxy]cyclohexa-1,3-diene

C14H24O — CID 118242692

IUPAC5-butan-2-yl-2-[(2-methylpropan-2-yl)oxy]cyclohexa-1,3-diene
SMILESCCC(C)C1C=CC(OC(C)(C)C)=CC1
InChIInChI=1S/C14H24O/c1-6-11(2)12-7-9-13(10-8-12)15-14(3,4)5/h7,9-12H,6,8H2,1-5H3
InChIKeyGTJZOWHRWQAHAO-UHFFFAOYSA-N
MW208.34 g/mol
LogP4.31
Rot. Bonds3

About 5-butan-2-yl-2-[(2-methylpropan-2-yl)oxy]cyclohexa-1,3-diene

5-butan-2-yl-2-[(2-methylpropan-2-yl)oxy]cyclohexa-1,3-diene (PubChem CID 118242692) has the molecular formula C14H24O and a molecular weight of 208.34 g/mol. Its IUPAC name is 5-butan-2-yl-2-[(2-methylpropan-2-yl)oxy]cyclohexa-1,3-diene.

Molecular Properties

Compound Name5-butan-2-yl-2-[(2-methylpropan-2-yl)oxy]cyclohexa-1,3-diene
PubChem CID118242692
Molecular FormulaC14H24O
Molecular Weight208.34 g/mol
Exact Mass208.18
IUPAC Name5-butan-2-yl-2-[(2-methylpropan-2-yl)oxy]cyclohexa-1,3-diene
SMILESCCC(C)C1C=CC(OC(C)(C)C)=CC1
InChIInChI=1S/C14H24O/c1-6-11(2)12-7-9-13(10-8-12)15-14(3,4)5/h7,9-12H,6,8H2,1-5H3
InChIKeyGTJZOWHRWQAHAO-UHFFFAOYSA-N
XLogP4.31
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.34
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-butan-2-yl-2-[(2-methylpropan-2-yl)oxy]cyclohexa-1,3-diene?
The IUPAC name of 5-butan-2-yl-2-[(2-methylpropan-2-yl)oxy]cyclohexa-1,3-diene (CID 118242692) is 5-butan-2-yl-2-[(2-methylpropan-2-yl)oxy]cyclohexa-1,3-diene.
What is the SMILES notation for 5-butan-2-yl-2-[(2-methylpropan-2-yl)oxy]cyclohexa-1,3-diene?
The canonical SMILES for 5-butan-2-yl-2-[(2-methylpropan-2-yl)oxy]cyclohexa-1,3-diene is CCC(C)C1C=CC(OC(C)(C)C)=CC1.
What is the InChIKey of 5-butan-2-yl-2-[(2-methylpropan-2-yl)oxy]cyclohexa-1,3-diene?
The InChIKey is GTJZOWHRWQAHAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O/c1-6-11(2)12-7-9-13(10-8-12)15-14(3,4)5/h7,9-12H,6,8H2,1-5H3.
What are the key properties of 5-butan-2-yl-2-[(2-methylpropan-2-yl)oxy]cyclohexa-1,3-diene?
5-butan-2-yl-2-[(2-methylpropan-2-yl)oxy]cyclohexa-1,3-diene has a molecular weight of 208.34 g/mol, XLogP of 4.31, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butan-2-yl-2-[(2-methylpropan-2-yl)oxy]cyclohexa-1,3-diene is sourced from PubChem (CID 118242692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).