2-[(4-pentylcyclohexyl)methoxy]-1-[2-[(4-pentylcyclohexyl)methoxy]naphthalen-1-yl]naphthalene;2-[[4-(4-propylcyclohexyl)phenyl]methoxy]-1-[2-[[4-(4-propylcyclohexyl)phenyl]methoxy]naphthalen-1-yl]naphthalene

C96H116O4 — CID 158260149

IUPAC2-[(4-pentylcyclohexyl)methoxy]-1-[2-[(4-pentylcyclohexyl)methoxy]naphthalen-1-yl]naphthalene;2-[[4-(4-propylcyclohexyl)phenyl]methoxy]-1-[2-[[4-(4-propylcyclohexyl)phenyl]methoxy]naphthalen-1-yl]naphthalene
SMILESCCCC1CCC(c2ccc(COc3ccc4ccccc4c3-c3c(OCc4ccc(C5CCC(CCC)CC5)cc4)ccc4ccccc34)cc2)CC1.CCCCCC1CCC(COc2ccc3ccccc3c2-c2c(OCC3CCC(CCCCC)CC3)ccc3ccccc23)CC1
InChIInChI=1S/C52H58O2.C44H58O2/c1-3-9-37-15-23-41(24-16-37)43-27-19-39(20-28-43)35-53-49-33-31-45-11-5-7-13-47(45)51(49)52-48-14-8-6-12-46(48)32-34-50(52)54-36-40-21-29-44(30-22-40)42-25-17-38(10-4-2)18-26-42;1-3-5-7-13-33-19-23-35(24-20-33)31-45-41-29-27-37-15-9-11-17-39(37)43(41)44-40-18-12-10-16-38(40)28-30-42(44)46-32-36-25-21-34(22-26-36)14-8-6-4-2/h5-8,11-14,19-22,27-34,37-38,41-42H,3-4,9-10,15-18,23-26,35-36H2,1-2H3;9-12,15-18,27-30,33-36H,3-8,13-14,19-26,31-32H2,1-2H3
InChIKeyGHTXMZJSGLCZEE-UHFFFAOYSA-N
MW1333.98 g/mol
LogP28.16
Rot. Bonds28

About 2-[(4-pentylcyclohexyl)methoxy]-1-[2-[(4-pentylcyclohexyl)methoxy]naphthalen-1-yl]naphthalene;2-[[4-(4-propylcyclohexyl)phenyl]methoxy]-1-[2-[[4-(4-propylcyclohexyl)phenyl]methoxy]naphthalen-1-yl]naphthalene

2-[(4-pentylcyclohexyl)methoxy]-1-[2-[(4-pentylcyclohexyl)methoxy]naphthalen-1-yl]naphthalene;2-[[4-(4-propylcyclohexyl)phenyl]methoxy]-1-[2-[[4-(4-propylcyclohexyl)phenyl]methoxy]naphthalen-1-yl]naphthalene (PubChem CID 158260149) has the molecular formula C96H116O4 and a molecular weight of 1333.98 g/mol. Its IUPAC name is 2-[(4-pentylcyclohexyl)methoxy]-1-[2-[(4-pentylcyclohexyl)methoxy]naphthalen-1-yl]naphthalene;2-[[4-(4-propylcyclohexyl)phenyl]methoxy]-1-[2-[[4-(4-propylcyclohexyl)phenyl]methoxy]naphthalen-1-yl]naphthalene.

Molecular Properties

Compound Name2-[(4-pentylcyclohexyl)methoxy]-1-[2-[(4-pentylcyclohexyl)methoxy]naphthalen-1-yl]naphthalene;2-[[4-(4-propylcyclohexyl)phenyl]methoxy]-1-[2-[[4-(4-propylcyclohexyl)phenyl]methoxy]naphthalen-1-yl]naphthalene
PubChem CID158260149
Molecular FormulaC96H116O4
Molecular Weight1333.98 g/mol
Exact Mass1332.89
IUPAC Name2-[(4-pentylcyclohexyl)methoxy]-1-[2-[(4-pentylcyclohexyl)methoxy]naphthalen-1-yl]naphthalene;2-[[4-(4-propylcyclohexyl)phenyl]methoxy]-1-[2-[[4-(4-propylcyclohexyl)phenyl]methoxy]naphthalen-1-yl]naphthalene
SMILESCCCC1CCC(c2ccc(COc3ccc4ccccc4c3-c3c(OCc4ccc(C5CCC(CCC)CC5)cc4)ccc4ccccc34)cc2)CC1.CCCCCC1CCC(COc2ccc3ccccc3c2-c2c(OCC3CCC(CCCCC)CC3)ccc3ccccc23)CC1
InChIInChI=1S/C52H58O2.C44H58O2/c1-3-9-37-15-23-41(24-16-37)43-27-19-39(20-28-43)35-53-49-33-31-45-11-5-7-13-47(45)51(49)52-48-14-8-6-12-46(48)32-34-50(52)54-36-40-21-29-44(30-22-40)42-25-17-38(10-4-2)18-26-42;1-3-5-7-13-33-19-23-35(24-20-33)31-45-41-29-27-37-15-9-11-17-39(37)43(41)44-40-18-12-10-16-38(40)28-30-42(44)46-32-36-25-21-34(22-26-36)14-8-6-4-2/h5-8,11-14,19-22,27-34,37-38,41-42H,3-4,9-10,15-18,23-26,35-36H2,1-2H3;9-12,15-18,27-30,33-36H,3-8,13-14,19-26,31-32H2,1-2H3
InChIKeyGHTXMZJSGLCZEE-UHFFFAOYSA-N
XLogP28.16
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds28
Heavy Atoms100
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001333.98
LogP ≤ 528.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-[(4-pentylcyclohexyl)methoxy]-1-[2-[(4-pentylcyclohexyl)methoxy]naphthalen-1-yl]naphthalene;2-[[4-(4-propylcyclohexyl)phenyl]methoxy]-1-[2-[[4-(4-propylcyclohexyl)phenyl]methoxy]naphthalen-1-yl]naphthalene with MolForge

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Related Compounds

1-butoxy-4-[[4-(4-pentylcyclohexyl)phenyl]methoxy]benzene
CID 54111085
2-ethoxy-1-[2-ethoxy-4-[4-(4-pentylcyclohexyl)phenyl]naphthalen-1-yl]-4-[4-(4-pentylcyclohexyl)phenyl]naphthalene
CID 102313483
1-(4-pentylcyclohexyl)-4-(phenylsulfanyloxymethyl)benzene;pentahydrofluoride
CID 67939407
1-(4-pentylcyclohexyl)-4-[[4-(trifluoromethyl)phenoxy]methyl]benzene
CID 19021199
1-ethoxy-2,3-difluoro-4-[[4-[4-(4-propylcyclohexyl)phenyl]cyclohexyl]methoxy]benzene
CID 154607154
1-phenylmethoxy-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene
CID 58660419
pentafluoro-[4-[[4-(4-octylcyclohexyl)phenyl]methoxy]phenyl]-λ6-sulfane
CID 88523413
pentakis(4-[[4-(4-butylcyclohexyl)phenyl]methoxy]benzenethiol);pentahydrofluoride
CID 173376017
1,2-difluoro-4-[[4-(4-pentylcyclohexyl)phenoxy]methyl]benzene
CID 67797912
1-(4-butylcyclohexyl)-4-(4-octylcyclohexyl)benzene
CID 20538404
1-(4-hexylcyclohexyl)-4-[3-(4-hexylcyclohexyl)propoxy]benzene
CID 19738763
1,4-bis[10-[4-(4-pentylcyclohexyl)phenoxy]decoxy]benzene
CID 102012139

Frequently Asked Questions

What is the IUPAC name of 2-[(4-pentylcyclohexyl)methoxy]-1-[2-[(4-pentylcyclohexyl)methoxy]naphthalen-1-yl]naphthalene;2-[[4-(4-propylcyclohexyl)phenyl]methoxy]-1-[2-[[4-(4-propylcyclohexyl)phenyl]methoxy]naphthalen-1-yl]naphthalene?
The IUPAC name of 2-[(4-pentylcyclohexyl)methoxy]-1-[2-[(4-pentylcyclohexyl)methoxy]naphthalen-1-yl]naphthalene;2-[[4-(4-propylcyclohexyl)phenyl]methoxy]-1-[2-[[4-(4-propylcyclohexyl)phenyl]methoxy]naphthalen-1-yl]naphthalene (CID 158260149) is 2-[(4-pentylcyclohexyl)methoxy]-1-[2-[(4-pentylcyclohexyl)methoxy]naphthalen-1-yl]naphthalene;2-[[4-(4-propylcyclohexyl)phenyl]methoxy]-1-[2-[[4-(4-propylcyclohexyl)phenyl]methoxy]naphthalen-1-yl]naphthalene.
What is the SMILES notation for 2-[(4-pentylcyclohexyl)methoxy]-1-[2-[(4-pentylcyclohexyl)methoxy]naphthalen-1-yl]naphthalene;2-[[4-(4-propylcyclohexyl)phenyl]methoxy]-1-[2-[[4-(4-propylcyclohexyl)phenyl]methoxy]naphthalen-1-yl]naphthalene?
The canonical SMILES for 2-[(4-pentylcyclohexyl)methoxy]-1-[2-[(4-pentylcyclohexyl)methoxy]naphthalen-1-yl]naphthalene;2-[[4-(4-propylcyclohexyl)phenyl]methoxy]-1-[2-[[4-(4-propylcyclohexyl)phenyl]methoxy]naphthalen-1-yl]naphthalene is CCCC1CCC(c2ccc(COc3ccc4ccccc4c3-c3c(OCc4ccc(C5CCC(CCC)CC5)cc4)ccc4ccccc34)cc2)CC1.CCCCCC1CCC(COc2ccc3ccccc3c2-c2c(OCC3CCC(CCCCC)CC3)ccc3ccccc23)CC1.
What is the InChIKey of 2-[(4-pentylcyclohexyl)methoxy]-1-[2-[(4-pentylcyclohexyl)methoxy]naphthalen-1-yl]naphthalene;2-[[4-(4-propylcyclohexyl)phenyl]methoxy]-1-[2-[[4-(4-propylcyclohexyl)phenyl]methoxy]naphthalen-1-yl]naphthalene?
The InChIKey is GHTXMZJSGLCZEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H58O2.C44H58O2/c1-3-9-37-15-23-41(24-16-37)43-27-19-39(20-28-43)35-53-49-33-31-45-11-5-7-13-47(45)51(49)52-48-14-8-6-12-46(48)32-34-50(52)54-36-40-21-29-44(30-22-40)42-25-17-38(10-4-2)18-26-42;1-3-5-7-13-33-19-23-35(24-20-33)31-45-41-29-27-37-15-9-11-17-39(37)43(41)44-40-18-12-10-16-38(40)28-30-42(44)46-32-36-25-21-34(22-26-36)14-8-6-4-2/h5-8,11-14,19-22,27-34,37-38,41-42H,3-4,9-10,15-18,23-26,35-36H2,1-2H3;9-12,15-18,27-30,33-36H,3-8,13-14,19-26,31-32H2,1-2H3.
What are the key properties of 2-[(4-pentylcyclohexyl)methoxy]-1-[2-[(4-pentylcyclohexyl)methoxy]naphthalen-1-yl]naphthalene;2-[[4-(4-propylcyclohexyl)phenyl]methoxy]-1-[2-[[4-(4-propylcyclohexyl)phenyl]methoxy]naphthalen-1-yl]naphthalene?
2-[(4-pentylcyclohexyl)methoxy]-1-[2-[(4-pentylcyclohexyl)methoxy]naphthalen-1-yl]naphthalene;2-[[4-(4-propylcyclohexyl)phenyl]methoxy]-1-[2-[[4-(4-propylcyclohexyl)phenyl]methoxy]naphthalen-1-yl]naphthalene has a molecular weight of 1333.98 g/mol, XLogP of 28.16, 28 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-pentylcyclohexyl)methoxy]-1-[2-[(4-pentylcyclohexyl)methoxy]naphthalen-1-yl]naphthalene;2-[[4-(4-propylcyclohexyl)phenyl]methoxy]-1-[2-[[4-(4-propylcyclohexyl)phenyl]methoxy]naphthalen-1-yl]naphthalene is sourced from PubChem (CID 158260149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).