1-methyl-2-[2-[(1S)-1,2,2-trimethylcyclohexyl]ethoxy]benzene

C18H28O — CID 157233752

IUPAC1-methyl-2-[2-[(1S)-1,2,2-trimethylcyclohexyl]ethoxy]benzene
SMILESCc1ccccc1OCC[C@]1(C)CCCCC1(C)C
InChIInChI=1S/C18H28O/c1-15-9-5-6-10-16(15)19-14-13-18(4)12-8-7-11-17(18,2)3/h5-6,9-10H,7-8,11-14H2,1-4H3/t18-/m0/s1
InChIKeyXGVJLPIWVZAGOT-SFHVURJKSA-N
MW260.42 g/mol
LogP5.37
Rot. Bonds4

About 1-methyl-2-[2-[(1S)-1,2,2-trimethylcyclohexyl]ethoxy]benzene

1-methyl-2-[2-[(1S)-1,2,2-trimethylcyclohexyl]ethoxy]benzene (PubChem CID 157233752) has the molecular formula C18H28O and a molecular weight of 260.42 g/mol. Its IUPAC name is 1-methyl-2-[2-[(1S)-1,2,2-trimethylcyclohexyl]ethoxy]benzene.

Molecular Properties

Compound Name1-methyl-2-[2-[(1S)-1,2,2-trimethylcyclohexyl]ethoxy]benzene
PubChem CID157233752
Molecular FormulaC18H28O
Molecular Weight260.42 g/mol
Exact Mass260.21
IUPAC Name1-methyl-2-[2-[(1S)-1,2,2-trimethylcyclohexyl]ethoxy]benzene
SMILESCc1ccccc1OCC[C@]1(C)CCCCC1(C)C
InChIInChI=1S/C18H28O/c1-15-9-5-6-10-16(15)19-14-13-18(4)12-8-7-11-17(18,2)3/h5-6,9-10H,7-8,11-14H2,1-4H3/t18-/m0/s1
InChIKeyXGVJLPIWVZAGOT-SFHVURJKSA-N
XLogP5.37
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500260.42
LogP ≤ 55.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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ethane;1-methyl-2-pentoxybenzene
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Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-[2-[(1S)-1,2,2-trimethylcyclohexyl]ethoxy]benzene?
The IUPAC name of 1-methyl-2-[2-[(1S)-1,2,2-trimethylcyclohexyl]ethoxy]benzene (CID 157233752) is 1-methyl-2-[2-[(1S)-1,2,2-trimethylcyclohexyl]ethoxy]benzene.
What is the SMILES notation for 1-methyl-2-[2-[(1S)-1,2,2-trimethylcyclohexyl]ethoxy]benzene?
The canonical SMILES for 1-methyl-2-[2-[(1S)-1,2,2-trimethylcyclohexyl]ethoxy]benzene is Cc1ccccc1OCC[C@]1(C)CCCCC1(C)C.
What is the InChIKey of 1-methyl-2-[2-[(1S)-1,2,2-trimethylcyclohexyl]ethoxy]benzene?
The InChIKey is XGVJLPIWVZAGOT-SFHVURJKSA-N. The full InChI is InChI=1S/C18H28O/c1-15-9-5-6-10-16(15)19-14-13-18(4)12-8-7-11-17(18,2)3/h5-6,9-10H,7-8,11-14H2,1-4H3/t18-/m0/s1.
What are the key properties of 1-methyl-2-[2-[(1S)-1,2,2-trimethylcyclohexyl]ethoxy]benzene?
1-methyl-2-[2-[(1S)-1,2,2-trimethylcyclohexyl]ethoxy]benzene has a molecular weight of 260.42 g/mol, XLogP of 5.37, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-[2-[(1S)-1,2,2-trimethylcyclohexyl]ethoxy]benzene is sourced from PubChem (CID 157233752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).