ethane;1-methoxy-4-(2,2,3-trimethylcyclopentyl)benzene

C17H28O — CID 143890955

IUPACethane;1-methoxy-4-(2,2,3-trimethylcyclopentyl)benzene
SMILESCC.COc1ccc(C2CCC(C)C2(C)C)cc1
InChIInChI=1S/C15H22O.C2H6/c1-11-5-10-14(15(11,2)3)12-6-8-13(16-4)9-7-12;1-2/h6-9,11,14H,5,10H2,1-4H3;1-2H3
InChIKeyUYKWPWJARSMBAU-UHFFFAOYSA-N
MW248.41 g/mol
LogP5.26
Rot. Bonds2

About ethane;1-methoxy-4-(2,2,3-trimethylcyclopentyl)benzene

ethane;1-methoxy-4-(2,2,3-trimethylcyclopentyl)benzene (PubChem CID 143890955) has the molecular formula C17H28O and a molecular weight of 248.41 g/mol. Its IUPAC name is ethane;1-methoxy-4-(2,2,3-trimethylcyclopentyl)benzene.

Molecular Properties

Compound Nameethane;1-methoxy-4-(2,2,3-trimethylcyclopentyl)benzene
PubChem CID143890955
Molecular FormulaC17H28O
Molecular Weight248.41 g/mol
Exact Mass248.21
IUPAC Nameethane;1-methoxy-4-(2,2,3-trimethylcyclopentyl)benzene
SMILESCC.COc1ccc(C2CCC(C)C2(C)C)cc1
InChIInChI=1S/C15H22O.C2H6/c1-11-5-10-14(15(11,2)3)12-6-8-13(16-4)9-7-12;1-2/h6-9,11,14H,5,10H2,1-4H3;1-2H3
InChIKeyUYKWPWJARSMBAU-UHFFFAOYSA-N
XLogP5.26
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500248.41
LogP ≤ 55.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of ethane;1-methoxy-4-(2,2,3-trimethylcyclopentyl)benzene?
The IUPAC name of ethane;1-methoxy-4-(2,2,3-trimethylcyclopentyl)benzene (CID 143890955) is ethane;1-methoxy-4-(2,2,3-trimethylcyclopentyl)benzene.
What is the SMILES notation for ethane;1-methoxy-4-(2,2,3-trimethylcyclopentyl)benzene?
The canonical SMILES for ethane;1-methoxy-4-(2,2,3-trimethylcyclopentyl)benzene is CC.COc1ccc(C2CCC(C)C2(C)C)cc1.
What is the InChIKey of ethane;1-methoxy-4-(2,2,3-trimethylcyclopentyl)benzene?
The InChIKey is UYKWPWJARSMBAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O.C2H6/c1-11-5-10-14(15(11,2)3)12-6-8-13(16-4)9-7-12;1-2/h6-9,11,14H,5,10H2,1-4H3;1-2H3.
What are the key properties of ethane;1-methoxy-4-(2,2,3-trimethylcyclopentyl)benzene?
ethane;1-methoxy-4-(2,2,3-trimethylcyclopentyl)benzene has a molecular weight of 248.41 g/mol, XLogP of 5.26, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-methoxy-4-(2,2,3-trimethylcyclopentyl)benzene is sourced from PubChem (CID 143890955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).