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

C10H16O — CID 23451431

IUPAC4-tert-butylcyclohexa-2,4-dien-1-ol
SMILESCC(C)(C)C1=CCC(O)C=C1
InChIInChI=1S/C10H16O/c1-10(2,3)8-4-6-9(11)7-5-8/h4-6,9,11H,7H2,1-3H3
InChIKeyBBTQFZSJPMXNDV-UHFFFAOYSA-N
MW152.24 g/mol
LogP2.28
Rot. Bonds

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

4-tert-butylcyclohexa-2,4-dien-1-ol (PubChem CID 23451431) has the molecular formula C10H16O and a molecular weight of 152.24 g/mol. Its IUPAC name is 4-tert-butylcyclohexa-2,4-dien-1-ol.

Molecular Properties

Compound Name4-tert-butylcyclohexa-2,4-dien-1-ol
PubChem CID23451431
Molecular FormulaC10H16O
Molecular Weight152.24 g/mol
Exact Mass152.12
IUPAC Name4-tert-butylcyclohexa-2,4-dien-1-ol
SMILESCC(C)(C)C1=CCC(O)C=C1
InChIInChI=1S/C10H16O/c1-10(2,3)8-4-6-9(11)7-5-8/h4-6,9,11H,7H2,1-3H3
InChIKeyBBTQFZSJPMXNDV-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 4-tert-butylcyclohexa-2,4-dien-1-ol?
The IUPAC name of 4-tert-butylcyclohexa-2,4-dien-1-ol (CID 23451431) is 4-tert-butylcyclohexa-2,4-dien-1-ol.
What is the SMILES notation for 4-tert-butylcyclohexa-2,4-dien-1-ol?
The canonical SMILES for 4-tert-butylcyclohexa-2,4-dien-1-ol is CC(C)(C)C1=CCC(O)C=C1.
What is the InChIKey of 4-tert-butylcyclohexa-2,4-dien-1-ol?
The InChIKey is BBTQFZSJPMXNDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O/c1-10(2,3)8-4-6-9(11)7-5-8/h4-6,9,11H,7H2,1-3H3.
What are the key properties of 4-tert-butylcyclohexa-2,4-dien-1-ol?
4-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 4-tert-butylcyclohexa-2,4-dien-1-ol is sourced from PubChem (CID 23451431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).