5-(2,2,5,5-tetramethylhexan-3-yl)cyclohexa-2,4-dien-1-ol

C16H28O — CID 123299528

IUPAC5-(2,2,5,5-tetramethylhexan-3-yl)cyclohexa-2,4-dien-1-ol
SMILESCC(C)(C)CC(C1=CC=CC(O)C1)C(C)(C)C
InChIInChI=1S/C16H28O/c1-15(2,3)11-14(16(4,5)6)12-8-7-9-13(17)10-12/h7-9,13-14,17H,10-11H2,1-6H3
InChIKeyARHMELJOCBVRMC-UHFFFAOYSA-N
MW236.40 g/mol
LogP4.33
Rot. Bonds2

About 5-(2,2,5,5-tetramethylhexan-3-yl)cyclohexa-2,4-dien-1-ol

5-(2,2,5,5-tetramethylhexan-3-yl)cyclohexa-2,4-dien-1-ol (PubChem CID 123299528) has the molecular formula C16H28O and a molecular weight of 236.40 g/mol. Its IUPAC name is 5-(2,2,5,5-tetramethylhexan-3-yl)cyclohexa-2,4-dien-1-ol.

Molecular Properties

Compound Name5-(2,2,5,5-tetramethylhexan-3-yl)cyclohexa-2,4-dien-1-ol
PubChem CID123299528
Molecular FormulaC16H28O
Molecular Weight236.40 g/mol
Exact Mass236.21
IUPAC Name5-(2,2,5,5-tetramethylhexan-3-yl)cyclohexa-2,4-dien-1-ol
SMILESCC(C)(C)CC(C1=CC=CC(O)C1)C(C)(C)C
InChIInChI=1S/C16H28O/c1-15(2,3)11-14(16(4,5)6)12-8-7-9-13(17)10-12/h7-9,13-14,17H,10-11H2,1-6H3
InChIKeyARHMELJOCBVRMC-UHFFFAOYSA-N
XLogP4.33
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.40
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-(2,2,5,5-tetramethylhexan-3-yl)cyclohexa-2,4-dien-1-ol?
The IUPAC name of 5-(2,2,5,5-tetramethylhexan-3-yl)cyclohexa-2,4-dien-1-ol (CID 123299528) is 5-(2,2,5,5-tetramethylhexan-3-yl)cyclohexa-2,4-dien-1-ol.
What is the SMILES notation for 5-(2,2,5,5-tetramethylhexan-3-yl)cyclohexa-2,4-dien-1-ol?
The canonical SMILES for 5-(2,2,5,5-tetramethylhexan-3-yl)cyclohexa-2,4-dien-1-ol is CC(C)(C)CC(C1=CC=CC(O)C1)C(C)(C)C.
What is the InChIKey of 5-(2,2,5,5-tetramethylhexan-3-yl)cyclohexa-2,4-dien-1-ol?
The InChIKey is ARHMELJOCBVRMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28O/c1-15(2,3)11-14(16(4,5)6)12-8-7-9-13(17)10-12/h7-9,13-14,17H,10-11H2,1-6H3.
What are the key properties of 5-(2,2,5,5-tetramethylhexan-3-yl)cyclohexa-2,4-dien-1-ol?
5-(2,2,5,5-tetramethylhexan-3-yl)cyclohexa-2,4-dien-1-ol has a molecular weight of 236.40 g/mol, XLogP of 4.33, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,2,5,5-tetramethylhexan-3-yl)cyclohexa-2,4-dien-1-ol is sourced from PubChem (CID 123299528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).