1-[4-[4-[2-(4-ethoxycyclohexyl)ethyl]cyclohexyl]cyclohexyl]propan-2-ylbenzene

C31H50O — CID 21052683

IUPAC1-[4-[4-[2-(4-ethoxycyclohexyl)ethyl]cyclohexyl]cyclohexyl]propan-2-ylbenzene
SMILESCCOC1CCC(CCC2CCC(C3CCC(CC(C)c4ccccc4)CC3)CC2)CC1
InChIInChI=1S/C31H50O/c1-3-32-31-21-15-26(16-22-31)10-9-25-11-17-29(18-12-25)30-19-13-27(14-20-30)23-24(2)28-7-5-4-6-8-28/h4-8,24-27,29-31H,3,9-23H2,1-2H3
InChIKeyKBBGMVOELNJWGE-UHFFFAOYSA-N
MW438.74 g/mol
LogP9.17
Rot. Bonds9

About 1-[4-[4-[2-(4-ethoxycyclohexyl)ethyl]cyclohexyl]cyclohexyl]propan-2-ylbenzene

1-[4-[4-[2-(4-ethoxycyclohexyl)ethyl]cyclohexyl]cyclohexyl]propan-2-ylbenzene (PubChem CID 21052683) has the molecular formula C31H50O and a molecular weight of 438.74 g/mol. Its IUPAC name is 1-[4-[4-[2-(4-ethoxycyclohexyl)ethyl]cyclohexyl]cyclohexyl]propan-2-ylbenzene.

Molecular Properties

Compound Name1-[4-[4-[2-(4-ethoxycyclohexyl)ethyl]cyclohexyl]cyclohexyl]propan-2-ylbenzene
PubChem CID21052683
Molecular FormulaC31H50O
Molecular Weight438.74 g/mol
Exact Mass438.39
IUPAC Name1-[4-[4-[2-(4-ethoxycyclohexyl)ethyl]cyclohexyl]cyclohexyl]propan-2-ylbenzene
SMILESCCOC1CCC(CCC2CCC(C3CCC(CC(C)c4ccccc4)CC3)CC2)CC1
InChIInChI=1S/C31H50O/c1-3-32-31-21-15-26(16-22-31)10-9-25-11-17-29(18-12-25)30-19-13-27(14-20-30)23-24(2)28-7-5-4-6-8-28/h4-8,24-27,29-31H,3,9-23H2,1-2H3
InChIKeyKBBGMVOELNJWGE-UHFFFAOYSA-N
XLogP9.17
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.74
LogP ≤ 59.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-[4-[4-[2-(4-ethoxycyclohexyl)ethyl]cyclohexyl]cyclohexyl]propan-2-ylbenzene with MolForge

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Related Compounds

1-[4-[4-[2-(4-propylcyclohexyl)ethyl]cyclohexyl]cyclohexyl]propan-2-ylbenzene
CID 21052654
4-[2-[4-[4-[(2R)-2-phenylpropyl]cyclohexyl]cyclohexyl]ethyl]cyclohexan-1-ol
CID 71102889
[(2S)-1-cyclopropylpropan-2-yl]benzene
CID 169109278
1-ethoxy-4-[2-[4-[4-[(2S)-2-phenylpropyl]cyclohexyl]cyclohexyl]ethyl]benzene
CID 58699202
[(2S)-1-[4-[4-(4-pent-3-enylcyclohexyl)cyclohexyl]cyclohexyl]propan-2-yl]benzene
CID 91009695
1-ethoxy-4-[4-[4-[(2R)-2-phenylpropyl]cyclohexyl]cyclohexyl]benzene
CID 58698888
1-[4-(4-ethoxycyclohexyl)cyclohexyl]-4-(2-phenylpropyl)benzene
CID 21052580
1,3-difluoro-5-[2-[4-[4-(2-phenylpropyl)cyclohexyl]cyclohexyl]ethyl]-2-propylbenzene
CID 21052521
1,2-difluoro-4-[2-[4-[4-[(2S)-2-phenylpropyl]cyclohexyl]cyclohexyl]ethyl]benzene
CID 58698776
1-chloro-4-[(2R)-1-[4-(4-propylcyclohexyl)cyclohexyl]propan-2-yl]benzene
CID 139753503
1-chloro-4-[4-[4-[(2R)-2-phenylpropyl]cyclohexyl]cyclohexyl]benzene
CID 58698353
1-fluoro-4-[4-[4-(2-phenylpropyl)cyclohexyl]cyclohexyl]benzene
CID 21052652

Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-[2-(4-ethoxycyclohexyl)ethyl]cyclohexyl]cyclohexyl]propan-2-ylbenzene?
The IUPAC name of 1-[4-[4-[2-(4-ethoxycyclohexyl)ethyl]cyclohexyl]cyclohexyl]propan-2-ylbenzene (CID 21052683) is 1-[4-[4-[2-(4-ethoxycyclohexyl)ethyl]cyclohexyl]cyclohexyl]propan-2-ylbenzene.
What is the SMILES notation for 1-[4-[4-[2-(4-ethoxycyclohexyl)ethyl]cyclohexyl]cyclohexyl]propan-2-ylbenzene?
The canonical SMILES for 1-[4-[4-[2-(4-ethoxycyclohexyl)ethyl]cyclohexyl]cyclohexyl]propan-2-ylbenzene is CCOC1CCC(CCC2CCC(C3CCC(CC(C)c4ccccc4)CC3)CC2)CC1.
What is the InChIKey of 1-[4-[4-[2-(4-ethoxycyclohexyl)ethyl]cyclohexyl]cyclohexyl]propan-2-ylbenzene?
The InChIKey is KBBGMVOELNJWGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H50O/c1-3-32-31-21-15-26(16-22-31)10-9-25-11-17-29(18-12-25)30-19-13-27(14-20-30)23-24(2)28-7-5-4-6-8-28/h4-8,24-27,29-31H,3,9-23H2,1-2H3.
What are the key properties of 1-[4-[4-[2-(4-ethoxycyclohexyl)ethyl]cyclohexyl]cyclohexyl]propan-2-ylbenzene?
1-[4-[4-[2-(4-ethoxycyclohexyl)ethyl]cyclohexyl]cyclohexyl]propan-2-ylbenzene has a molecular weight of 438.74 g/mol, XLogP of 9.17, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-[2-(4-ethoxycyclohexyl)ethyl]cyclohexyl]cyclohexyl]propan-2-ylbenzene is sourced from PubChem (CID 21052683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).