1-tert-butylcyclohexa-2,4-dien-1-ol

C10H16O — CID 139242872

IUPAC1-tert-butylcyclohexa-2,4-dien-1-ol
SMILESCC(C)(C)C1(O)C=CC=CC1
InChIInChI=1S/C10H16O/c1-9(2,3)10(11)7-5-4-6-8-10/h4-7,11H,8H2,1-3H3
InChIKeyNQZZYWZJORWXCL-UHFFFAOYSA-N
MW152.24 g/mol
LogP2.28
Rot. Bonds

About 1-tert-butylcyclohexa-2,4-dien-1-ol

1-tert-butylcyclohexa-2,4-dien-1-ol (PubChem CID 139242872) has the molecular formula C10H16O and a molecular weight of 152.24 g/mol. Its IUPAC name is 1-tert-butylcyclohexa-2,4-dien-1-ol.

Molecular Properties

Compound Name1-tert-butylcyclohexa-2,4-dien-1-ol
PubChem CID139242872
Molecular FormulaC10H16O
Molecular Weight152.24 g/mol
Exact Mass152.12
IUPAC Name1-tert-butylcyclohexa-2,4-dien-1-ol
SMILESCC(C)(C)C1(O)C=CC=CC1
InChIInChI=1S/C10H16O/c1-9(2,3)10(11)7-5-4-6-8-10/h4-7,11H,8H2,1-3H3
InChIKeyNQZZYWZJORWXCL-UHFFFAOYSA-N
XLogP2.28
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butylcyclohexa-2,4-dien-1-ol?
The IUPAC name of 1-tert-butylcyclohexa-2,4-dien-1-ol (CID 139242872) is 1-tert-butylcyclohexa-2,4-dien-1-ol.
What is the SMILES notation for 1-tert-butylcyclohexa-2,4-dien-1-ol?
The canonical SMILES for 1-tert-butylcyclohexa-2,4-dien-1-ol is CC(C)(C)C1(O)C=CC=CC1.
What is the InChIKey of 1-tert-butylcyclohexa-2,4-dien-1-ol?
The InChIKey is NQZZYWZJORWXCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O/c1-9(2,3)10(11)7-5-4-6-8-10/h4-7,11H,8H2,1-3H3.
What are the key properties of 1-tert-butylcyclohexa-2,4-dien-1-ol?
1-tert-butylcyclohexa-2,4-dien-1-ol has a molecular weight of 152.24 g/mol, XLogP of 2.28, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butylcyclohexa-2,4-dien-1-ol is sourced from PubChem (CID 139242872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).