1,4-di(propan-2-yl)cyclohexa-3,5-diene-1,2-diol

C12H20O2 — CID 67945243

IUPAC1,4-di(propan-2-yl)cyclohexa-3,5-diene-1,2-diol
SMILESCC(C)C1=CC(O)C(O)(C(C)C)C=C1
InChIInChI=1S/C12H20O2/c1-8(2)10-5-6-12(14,9(3)4)11(13)7-10/h5-9,11,13-14H,1-4H3
InChIKeyYFWFHOQVDLDDRL-UHFFFAOYSA-N
MW196.29 g/mol
LogP1.89
Rot. Bonds2

About 1,4-di(propan-2-yl)cyclohexa-3,5-diene-1,2-diol

1,4-di(propan-2-yl)cyclohexa-3,5-diene-1,2-diol (PubChem CID 67945243) has the molecular formula C12H20O2 and a molecular weight of 196.29 g/mol. Its IUPAC name is 1,4-di(propan-2-yl)cyclohexa-3,5-diene-1,2-diol.

Molecular Properties

Compound Name1,4-di(propan-2-yl)cyclohexa-3,5-diene-1,2-diol
PubChem CID67945243
Molecular FormulaC12H20O2
Molecular Weight196.29 g/mol
Exact Mass196.15
IUPAC Name1,4-di(propan-2-yl)cyclohexa-3,5-diene-1,2-diol
SMILESCC(C)C1=CC(O)C(O)(C(C)C)C=C1
InChIInChI=1S/C12H20O2/c1-8(2)10-5-6-12(14,9(3)4)11(13)7-10/h5-9,11,13-14H,1-4H3
InChIKeyYFWFHOQVDLDDRL-UHFFFAOYSA-N
XLogP1.89
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,4-di(propan-2-yl)cyclohexa-3,5-diene-1,2-diol?
The IUPAC name of 1,4-di(propan-2-yl)cyclohexa-3,5-diene-1,2-diol (CID 67945243) is 1,4-di(propan-2-yl)cyclohexa-3,5-diene-1,2-diol.
What is the SMILES notation for 1,4-di(propan-2-yl)cyclohexa-3,5-diene-1,2-diol?
The canonical SMILES for 1,4-di(propan-2-yl)cyclohexa-3,5-diene-1,2-diol is CC(C)C1=CC(O)C(O)(C(C)C)C=C1.
What is the InChIKey of 1,4-di(propan-2-yl)cyclohexa-3,5-diene-1,2-diol?
The InChIKey is YFWFHOQVDLDDRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O2/c1-8(2)10-5-6-12(14,9(3)4)11(13)7-10/h5-9,11,13-14H,1-4H3.
What are the key properties of 1,4-di(propan-2-yl)cyclohexa-3,5-diene-1,2-diol?
1,4-di(propan-2-yl)cyclohexa-3,5-diene-1,2-diol has a molecular weight of 196.29 g/mol, XLogP of 1.89, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-di(propan-2-yl)cyclohexa-3,5-diene-1,2-diol is sourced from PubChem (CID 67945243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).