4-methoxy-4-methyl-2,6-di(propan-2-yl)cyclohexa-1,5-dien-1-ol

C14H24O2 — CID 70442113

IUPAC4-methoxy-4-methyl-2,6-di(propan-2-yl)cyclohexa-1,5-dien-1-ol
SMILESCOC1(C)C=C(C(C)C)C(O)=C(C(C)C)C1
InChIInChI=1S/C14H24O2/c1-9(2)11-7-14(5,16-6)8-12(10(3)4)13(11)15/h7,9-10,15H,8H2,1-6H3
InChIKeyVQHILFRHLJINNM-UHFFFAOYSA-N
MW224.34 g/mol
LogP3.85
Rot. Bonds3

About 4-methoxy-4-methyl-2,6-di(propan-2-yl)cyclohexa-1,5-dien-1-ol

4-methoxy-4-methyl-2,6-di(propan-2-yl)cyclohexa-1,5-dien-1-ol (PubChem CID 70442113) has the molecular formula C14H24O2 and a molecular weight of 224.34 g/mol. Its IUPAC name is 4-methoxy-4-methyl-2,6-di(propan-2-yl)cyclohexa-1,5-dien-1-ol.

Molecular Properties

Compound Name4-methoxy-4-methyl-2,6-di(propan-2-yl)cyclohexa-1,5-dien-1-ol
PubChem CID70442113
Molecular FormulaC14H24O2
Molecular Weight224.34 g/mol
Exact Mass224.18
IUPAC Name4-methoxy-4-methyl-2,6-di(propan-2-yl)cyclohexa-1,5-dien-1-ol
SMILESCOC1(C)C=C(C(C)C)C(O)=C(C(C)C)C1
InChIInChI=1S/C14H24O2/c1-9(2)11-7-14(5,16-6)8-12(10(3)4)13(11)15/h7,9-10,15H,8H2,1-6H3
InChIKeyVQHILFRHLJINNM-UHFFFAOYSA-N
XLogP3.85
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.34
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-4-methyl-2,6-di(propan-2-yl)cyclohexa-1,5-dien-1-ol?
The IUPAC name of 4-methoxy-4-methyl-2,6-di(propan-2-yl)cyclohexa-1,5-dien-1-ol (CID 70442113) is 4-methoxy-4-methyl-2,6-di(propan-2-yl)cyclohexa-1,5-dien-1-ol.
What is the SMILES notation for 4-methoxy-4-methyl-2,6-di(propan-2-yl)cyclohexa-1,5-dien-1-ol?
The canonical SMILES for 4-methoxy-4-methyl-2,6-di(propan-2-yl)cyclohexa-1,5-dien-1-ol is COC1(C)C=C(C(C)C)C(O)=C(C(C)C)C1.
What is the InChIKey of 4-methoxy-4-methyl-2,6-di(propan-2-yl)cyclohexa-1,5-dien-1-ol?
The InChIKey is VQHILFRHLJINNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O2/c1-9(2)11-7-14(5,16-6)8-12(10(3)4)13(11)15/h7,9-10,15H,8H2,1-6H3.
What are the key properties of 4-methoxy-4-methyl-2,6-di(propan-2-yl)cyclohexa-1,5-dien-1-ol?
4-methoxy-4-methyl-2,6-di(propan-2-yl)cyclohexa-1,5-dien-1-ol has a molecular weight of 224.34 g/mol, XLogP of 3.85, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-4-methyl-2,6-di(propan-2-yl)cyclohexa-1,5-dien-1-ol is sourced from PubChem (CID 70442113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).