1,2-bis(2-cyclohexyloxy-2-methylpropyl)benzene

C26H42O2 — CID 141414067

IUPAC1,2-bis(2-cyclohexyloxy-2-methylpropyl)benzene
SMILESCC(C)(Cc1ccccc1CC(C)(C)OC1CCCCC1)OC1CCCCC1
InChIInChI=1S/C26H42O2/c1-25(2,27-23-15-7-5-8-16-23)19-21-13-11-12-14-22(21)20-26(3,4)28-24-17-9-6-10-18-24/h11-14,23-24H,5-10,15-20H2,1-4H3
InChIKeyKUBLJPJBXWFWDN-UHFFFAOYSA-N
MW386.62 g/mol
LogP7.03
Rot. Bonds8

About 1,2-bis(2-cyclohexyloxy-2-methylpropyl)benzene

1,2-bis(2-cyclohexyloxy-2-methylpropyl)benzene (PubChem CID 141414067) has the molecular formula C26H42O2 and a molecular weight of 386.62 g/mol. Its IUPAC name is 1,2-bis(2-cyclohexyloxy-2-methylpropyl)benzene.

Molecular Properties

Compound Name1,2-bis(2-cyclohexyloxy-2-methylpropyl)benzene
PubChem CID141414067
Molecular FormulaC26H42O2
Molecular Weight386.62 g/mol
Exact Mass386.32
IUPAC Name1,2-bis(2-cyclohexyloxy-2-methylpropyl)benzene
SMILESCC(C)(Cc1ccccc1CC(C)(C)OC1CCCCC1)OC1CCCCC1
InChIInChI=1S/C26H42O2/c1-25(2,27-23-15-7-5-8-16-23)19-21-13-11-12-14-22(21)20-26(3,4)28-24-17-9-6-10-18-24/h11-14,23-24H,5-10,15-20H2,1-4H3
InChIKeyKUBLJPJBXWFWDN-UHFFFAOYSA-N
XLogP7.03
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.62
LogP ≤ 57.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,2-bis(2-cyclohexyloxy-2-methylpropyl)benzene?
The IUPAC name of 1,2-bis(2-cyclohexyloxy-2-methylpropyl)benzene (CID 141414067) is 1,2-bis(2-cyclohexyloxy-2-methylpropyl)benzene.
What is the SMILES notation for 1,2-bis(2-cyclohexyloxy-2-methylpropyl)benzene?
The canonical SMILES for 1,2-bis(2-cyclohexyloxy-2-methylpropyl)benzene is CC(C)(Cc1ccccc1CC(C)(C)OC1CCCCC1)OC1CCCCC1.
What is the InChIKey of 1,2-bis(2-cyclohexyloxy-2-methylpropyl)benzene?
The InChIKey is KUBLJPJBXWFWDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H42O2/c1-25(2,27-23-15-7-5-8-16-23)19-21-13-11-12-14-22(21)20-26(3,4)28-24-17-9-6-10-18-24/h11-14,23-24H,5-10,15-20H2,1-4H3.
What are the key properties of 1,2-bis(2-cyclohexyloxy-2-methylpropyl)benzene?
1,2-bis(2-cyclohexyloxy-2-methylpropyl)benzene has a molecular weight of 386.62 g/mol, XLogP of 7.03, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-bis(2-cyclohexyloxy-2-methylpropyl)benzene is sourced from PubChem (CID 141414067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).