1-tert-butyl-6-methoxycyclohexa-2,4-dien-1-ol

C11H18O2 — CID 150135737

IUPAC1-tert-butyl-6-methoxycyclohexa-2,4-dien-1-ol
SMILESCOC1C=CC=CC1(O)C(C)(C)C
InChIInChI=1S/C11H18O2/c1-10(2,3)11(12)8-6-5-7-9(11)13-4/h5-9,12H,1-4H3
InChIKeyFCEWIOGPCIDWAA-UHFFFAOYSA-N
MW182.26 g/mol
LogP1.90
Rot. Bonds1

About 1-tert-butyl-6-methoxycyclohexa-2,4-dien-1-ol

1-tert-butyl-6-methoxycyclohexa-2,4-dien-1-ol (PubChem CID 150135737) has the molecular formula C11H18O2 and a molecular weight of 182.26 g/mol. Its IUPAC name is 1-tert-butyl-6-methoxycyclohexa-2,4-dien-1-ol.

Molecular Properties

Compound Name1-tert-butyl-6-methoxycyclohexa-2,4-dien-1-ol
PubChem CID150135737
Molecular FormulaC11H18O2
Molecular Weight182.26 g/mol
Exact Mass182.13
IUPAC Name1-tert-butyl-6-methoxycyclohexa-2,4-dien-1-ol
SMILESCOC1C=CC=CC1(O)C(C)(C)C
InChIInChI=1S/C11H18O2/c1-10(2,3)11(12)8-6-5-7-9(11)13-4/h5-9,12H,1-4H3
InChIKeyFCEWIOGPCIDWAA-UHFFFAOYSA-N
XLogP1.90
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.26
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-6-methoxycyclohexa-2,4-dien-1-ol?
The IUPAC name of 1-tert-butyl-6-methoxycyclohexa-2,4-dien-1-ol (CID 150135737) is 1-tert-butyl-6-methoxycyclohexa-2,4-dien-1-ol.
What is the SMILES notation for 1-tert-butyl-6-methoxycyclohexa-2,4-dien-1-ol?
The canonical SMILES for 1-tert-butyl-6-methoxycyclohexa-2,4-dien-1-ol is COC1C=CC=CC1(O)C(C)(C)C.
What is the InChIKey of 1-tert-butyl-6-methoxycyclohexa-2,4-dien-1-ol?
The InChIKey is FCEWIOGPCIDWAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O2/c1-10(2,3)11(12)8-6-5-7-9(11)13-4/h5-9,12H,1-4H3.
What are the key properties of 1-tert-butyl-6-methoxycyclohexa-2,4-dien-1-ol?
1-tert-butyl-6-methoxycyclohexa-2,4-dien-1-ol has a molecular weight of 182.26 g/mol, XLogP of 1.90, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-6-methoxycyclohexa-2,4-dien-1-ol is sourced from PubChem (CID 150135737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).