1,6-ditert-butylcyclohexa-2,4-dien-1-ol

C14H24O — CID 66747061

IUPAC1,6-ditert-butylcyclohexa-2,4-dien-1-ol
SMILESCC(C)(C)C1C=CC=CC1(O)C(C)(C)C
InChIInChI=1S/C14H24O/c1-12(2,3)11-9-7-8-10-14(11,15)13(4,5)6/h7-11,15H,1-6H3
InChIKeySLOMXBIDVLSOOZ-UHFFFAOYSA-N
MW208.34 g/mol
LogP3.55
Rot. Bonds

About 1,6-ditert-butylcyclohexa-2,4-dien-1-ol

1,6-ditert-butylcyclohexa-2,4-dien-1-ol (PubChem CID 66747061) has the molecular formula C14H24O and a molecular weight of 208.34 g/mol. Its IUPAC name is 1,6-ditert-butylcyclohexa-2,4-dien-1-ol.

Molecular Properties

Compound Name1,6-ditert-butylcyclohexa-2,4-dien-1-ol
PubChem CID66747061
Molecular FormulaC14H24O
Molecular Weight208.34 g/mol
Exact Mass208.18
IUPAC Name1,6-ditert-butylcyclohexa-2,4-dien-1-ol
SMILESCC(C)(C)C1C=CC=CC1(O)C(C)(C)C
InChIInChI=1S/C14H24O/c1-12(2,3)11-9-7-8-10-14(11,15)13(4,5)6/h7-11,15H,1-6H3
InChIKeySLOMXBIDVLSOOZ-UHFFFAOYSA-N
XLogP3.55
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 ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,6-ditert-butylcyclohexa-2,4-dien-1-ol?
The IUPAC name of 1,6-ditert-butylcyclohexa-2,4-dien-1-ol (CID 66747061) is 1,6-ditert-butylcyclohexa-2,4-dien-1-ol.
What is the SMILES notation for 1,6-ditert-butylcyclohexa-2,4-dien-1-ol?
The canonical SMILES for 1,6-ditert-butylcyclohexa-2,4-dien-1-ol is CC(C)(C)C1C=CC=CC1(O)C(C)(C)C.
What is the InChIKey of 1,6-ditert-butylcyclohexa-2,4-dien-1-ol?
The InChIKey is SLOMXBIDVLSOOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O/c1-12(2,3)11-9-7-8-10-14(11,15)13(4,5)6/h7-11,15H,1-6H3.
What are the key properties of 1,6-ditert-butylcyclohexa-2,4-dien-1-ol?
1,6-ditert-butylcyclohexa-2,4-dien-1-ol has a molecular weight of 208.34 g/mol, XLogP of 3.55, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,6-ditert-butylcyclohexa-2,4-dien-1-ol is sourced from PubChem (CID 66747061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).