3,5-ditert-butylcyclohexa-1,5-dien-1-ol

C14H24O — CID 19011256

IUPAC3,5-ditert-butylcyclohexa-1,5-dien-1-ol
SMILESCC(C)(C)C1=CC(O)=CC(C(C)(C)C)C1
InChIInChI=1S/C14H24O/c1-13(2,3)10-7-11(14(4,5)6)9-12(15)8-10/h8-10,15H,7H2,1-6H3
InChIKeyLMQPSKFXVYCQEJ-UHFFFAOYSA-N
MW208.34 g/mol
LogP4.47
Rot. Bonds

About 3,5-ditert-butylcyclohexa-1,5-dien-1-ol

3,5-ditert-butylcyclohexa-1,5-dien-1-ol (PubChem CID 19011256) has the molecular formula C14H24O and a molecular weight of 208.34 g/mol. Its IUPAC name is 3,5-ditert-butylcyclohexa-1,5-dien-1-ol.

Molecular Properties

Compound Name3,5-ditert-butylcyclohexa-1,5-dien-1-ol
PubChem CID19011256
Molecular FormulaC14H24O
Molecular Weight208.34 g/mol
Exact Mass208.18
IUPAC Name3,5-ditert-butylcyclohexa-1,5-dien-1-ol
SMILESCC(C)(C)C1=CC(O)=CC(C(C)(C)C)C1
InChIInChI=1S/C14H24O/c1-13(2,3)10-7-11(14(4,5)6)9-12(15)8-10/h8-10,15H,7H2,1-6H3
InChIKeyLMQPSKFXVYCQEJ-UHFFFAOYSA-N
XLogP4.47
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.34
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3,5-ditert-butylcyclohexa-1,5-dien-1-ol?
The IUPAC name of 3,5-ditert-butylcyclohexa-1,5-dien-1-ol (CID 19011256) is 3,5-ditert-butylcyclohexa-1,5-dien-1-ol.
What is the SMILES notation for 3,5-ditert-butylcyclohexa-1,5-dien-1-ol?
The canonical SMILES for 3,5-ditert-butylcyclohexa-1,5-dien-1-ol is CC(C)(C)C1=CC(O)=CC(C(C)(C)C)C1.
What is the InChIKey of 3,5-ditert-butylcyclohexa-1,5-dien-1-ol?
The InChIKey is LMQPSKFXVYCQEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O/c1-13(2,3)10-7-11(14(4,5)6)9-12(15)8-10/h8-10,15H,7H2,1-6H3.
What are the key properties of 3,5-ditert-butylcyclohexa-1,5-dien-1-ol?
3,5-ditert-butylcyclohexa-1,5-dien-1-ol has a molecular weight of 208.34 g/mol, XLogP of 4.47, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-ditert-butylcyclohexa-1,5-dien-1-ol is sourced from PubChem (CID 19011256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).