4-tert-butyl-2,6-dimethyl-4-propylcyclohexa-1,5-dien-1-ol

C15H26O — CID 175432288

IUPAC4-tert-butyl-2,6-dimethyl-4-propylcyclohexa-1,5-dien-1-ol
SMILESCCCC1(C(C)(C)C)C=C(C)C(O)=C(C)C1
InChIInChI=1S/C15H26O/c1-7-8-15(14(4,5)6)9-11(2)13(16)12(3)10-15/h9,16H,7-8,10H2,1-6H3
InChIKeyUTZSJOUKZFNCPL-UHFFFAOYSA-N
MW222.37 g/mol
LogP5.00
Rot. Bonds2

About 4-tert-butyl-2,6-dimethyl-4-propylcyclohexa-1,5-dien-1-ol

4-tert-butyl-2,6-dimethyl-4-propylcyclohexa-1,5-dien-1-ol (PubChem CID 175432288) has the molecular formula C15H26O and a molecular weight of 222.37 g/mol. Its IUPAC name is 4-tert-butyl-2,6-dimethyl-4-propylcyclohexa-1,5-dien-1-ol.

Molecular Properties

Compound Name4-tert-butyl-2,6-dimethyl-4-propylcyclohexa-1,5-dien-1-ol
PubChem CID175432288
Molecular FormulaC15H26O
Molecular Weight222.37 g/mol
Exact Mass222.20
IUPAC Name4-tert-butyl-2,6-dimethyl-4-propylcyclohexa-1,5-dien-1-ol
SMILESCCCC1(C(C)(C)C)C=C(C)C(O)=C(C)C1
InChIInChI=1S/C15H26O/c1-7-8-15(14(4,5)6)9-11(2)13(16)12(3)10-15/h9,16H,7-8,10H2,1-6H3
InChIKeyUTZSJOUKZFNCPL-UHFFFAOYSA-N
XLogP5.00
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500222.37
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-2,6-dimethyl-4-propylcyclohexa-1,5-dien-1-ol?
The IUPAC name of 4-tert-butyl-2,6-dimethyl-4-propylcyclohexa-1,5-dien-1-ol (CID 175432288) is 4-tert-butyl-2,6-dimethyl-4-propylcyclohexa-1,5-dien-1-ol.
What is the SMILES notation for 4-tert-butyl-2,6-dimethyl-4-propylcyclohexa-1,5-dien-1-ol?
The canonical SMILES for 4-tert-butyl-2,6-dimethyl-4-propylcyclohexa-1,5-dien-1-ol is CCCC1(C(C)(C)C)C=C(C)C(O)=C(C)C1.
What is the InChIKey of 4-tert-butyl-2,6-dimethyl-4-propylcyclohexa-1,5-dien-1-ol?
The InChIKey is UTZSJOUKZFNCPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26O/c1-7-8-15(14(4,5)6)9-11(2)13(16)12(3)10-15/h9,16H,7-8,10H2,1-6H3.
What are the key properties of 4-tert-butyl-2,6-dimethyl-4-propylcyclohexa-1,5-dien-1-ol?
4-tert-butyl-2,6-dimethyl-4-propylcyclohexa-1,5-dien-1-ol has a molecular weight of 222.37 g/mol, XLogP of 5.00, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-2,6-dimethyl-4-propylcyclohexa-1,5-dien-1-ol is sourced from PubChem (CID 175432288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).