(3,3,5,5-tetramethylcyclohexyl)oxybenzene

C16H24O — CID 141032828

IUPAC(3,3,5,5-tetramethylcyclohexyl)oxybenzene
SMILESCC1(C)CC(Oc2ccccc2)CC(C)(C)C1
InChIInChI=1S/C16H24O/c1-15(2)10-14(11-16(3,4)12-15)17-13-8-6-5-7-9-13/h5-9,14H,10-12H2,1-4H3
InChIKeyGTJFQQRAQSOMGF-UHFFFAOYSA-N
MW232.37 g/mol
LogP4.67
Rot. Bonds2

About (3,3,5,5-tetramethylcyclohexyl)oxybenzene

(3,3,5,5-tetramethylcyclohexyl)oxybenzene (PubChem CID 141032828) has the molecular formula C16H24O and a molecular weight of 232.37 g/mol. Its IUPAC name is (3,3,5,5-tetramethylcyclohexyl)oxybenzene.

Molecular Properties

Compound Name(3,3,5,5-tetramethylcyclohexyl)oxybenzene
PubChem CID141032828
Molecular FormulaC16H24O
Molecular Weight232.37 g/mol
Exact Mass232.18
IUPAC Name(3,3,5,5-tetramethylcyclohexyl)oxybenzene
SMILESCC1(C)CC(Oc2ccccc2)CC(C)(C)C1
InChIInChI=1S/C16H24O/c1-15(2)10-14(11-16(3,4)12-15)17-13-8-6-5-7-9-13/h5-9,14H,10-12H2,1-4H3
InChIKeyGTJFQQRAQSOMGF-UHFFFAOYSA-N
XLogP4.67
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.37
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (3,3,5,5-tetramethylcyclohexyl)oxybenzene?
The IUPAC name of (3,3,5,5-tetramethylcyclohexyl)oxybenzene (CID 141032828) is (3,3,5,5-tetramethylcyclohexyl)oxybenzene.
What is the SMILES notation for (3,3,5,5-tetramethylcyclohexyl)oxybenzene?
The canonical SMILES for (3,3,5,5-tetramethylcyclohexyl)oxybenzene is CC1(C)CC(Oc2ccccc2)CC(C)(C)C1.
What is the InChIKey of (3,3,5,5-tetramethylcyclohexyl)oxybenzene?
The InChIKey is GTJFQQRAQSOMGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24O/c1-15(2)10-14(11-16(3,4)12-15)17-13-8-6-5-7-9-13/h5-9,14H,10-12H2,1-4H3.
What are the key properties of (3,3,5,5-tetramethylcyclohexyl)oxybenzene?
(3,3,5,5-tetramethylcyclohexyl)oxybenzene has a molecular weight of 232.37 g/mol, XLogP of 4.67, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3,3,5,5-tetramethylcyclohexyl)oxybenzene is sourced from PubChem (CID 141032828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).