6-[[4-(4-methylcyclohexyl)cyclohexyl]methoxy]-5-[2-[[4-(4-methylcyclohexyl)cyclohexyl]methoxy]-5,6,7,8-tetrahydronaphthalen-1-yl]-1,2,3,4-tetrahydronaphthalene

C48H70O2 — CID 118444931

IUPAC6-[[4-(4-methylcyclohexyl)cyclohexyl]methoxy]-5-[2-[[4-(4-methylcyclohexyl)cyclohexyl]methoxy]-5,6,7,8-tetrahydronaphthalen-1-yl]-1,2,3,4-tetrahydronaphthalene
SMILESCC1CCC(C2CCC(COc3ccc4c(c3-c3c(OCC5CCC(C6CCC(C)CC6)CC5)ccc5c3CCCC5)CCCC4)CC2)CC1
InChIInChI=1S/C48H70O2/c1-33-11-19-37(20-12-33)39-23-15-35(16-24-39)31-49-45-29-27-41-7-3-5-9-43(41)47(45)48-44-10-6-4-8-42(44)28-30-46(48)50-32-36-17-25-40(26-18-36)38-21-13-34(2)14-22-38/h27-30,33-40H,3-26,31-32H2,1-2H3
InChIKeyBRZIAEZUUCUVFZ-UHFFFAOYSA-N
MW679.09 g/mol
LogP13.13
Rot. Bonds9

About 6-[[4-(4-methylcyclohexyl)cyclohexyl]methoxy]-5-[2-[[4-(4-methylcyclohexyl)cyclohexyl]methoxy]-5,6,7,8-tetrahydronaphthalen-1-yl]-1,2,3,4-tetrahydronaphthalene

6-[[4-(4-methylcyclohexyl)cyclohexyl]methoxy]-5-[2-[[4-(4-methylcyclohexyl)cyclohexyl]methoxy]-5,6,7,8-tetrahydronaphthalen-1-yl]-1,2,3,4-tetrahydronaphthalene (PubChem CID 118444931) has the molecular formula C48H70O2 and a molecular weight of 679.09 g/mol. Its IUPAC name is 6-[[4-(4-methylcyclohexyl)cyclohexyl]methoxy]-5-[2-[[4-(4-methylcyclohexyl)cyclohexyl]methoxy]-5,6,7,8-tetrahydronaphthalen-1-yl]-1,2,3,4-tetrahydronaphthalene.

Molecular Properties

Compound Name6-[[4-(4-methylcyclohexyl)cyclohexyl]methoxy]-5-[2-[[4-(4-methylcyclohexyl)cyclohexyl]methoxy]-5,6,7,8-tetrahydronaphthalen-1-yl]-1,2,3,4-tetrahydronaphthalene
PubChem CID118444931
Molecular FormulaC48H70O2
Molecular Weight679.09 g/mol
Exact Mass678.54
IUPAC Name6-[[4-(4-methylcyclohexyl)cyclohexyl]methoxy]-5-[2-[[4-(4-methylcyclohexyl)cyclohexyl]methoxy]-5,6,7,8-tetrahydronaphthalen-1-yl]-1,2,3,4-tetrahydronaphthalene
SMILESCC1CCC(C2CCC(COc3ccc4c(c3-c3c(OCC5CCC(C6CCC(C)CC6)CC5)ccc5c3CCCC5)CCCC4)CC2)CC1
InChIInChI=1S/C48H70O2/c1-33-11-19-37(20-12-33)39-23-15-35(16-24-39)31-49-45-29-27-41-7-3-5-9-43(41)47(45)48-44-10-6-4-8-42(44)28-30-46(48)50-32-36-17-25-40(26-18-36)38-21-13-34(2)14-22-38/h27-30,33-40H,3-26,31-32H2,1-2H3
InChIKeyBRZIAEZUUCUVFZ-UHFFFAOYSA-N
XLogP13.13
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500679.09
LogP ≤ 513.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 6-[[4-(4-methylcyclohexyl)cyclohexyl]methoxy]-5-[2-[[4-(4-methylcyclohexyl)cyclohexyl]methoxy]-5,6,7,8-tetrahydronaphthalen-1-yl]-1,2,3,4-tetrahydronaphthalene with MolForge

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Related Compounds

1-(cyclopropylmethoxy)-2,3-difluoro-4-[[4-(4-methylcyclohexyl)cyclohexyl]methoxy]benzene
CID 162428612
2,3-difluoro-1-[[4-(4-methylcyclohexyl)cyclohexyl]methoxy]-4-[(4-methylcyclohexyl)methoxy]benzene;molecular hydrogen
CID 160962445
1-ethoxy-2,3-difluoro-4-[[4-[4-[(E)-2-(4-methylcyclohexyl)ethenyl]cyclohexyl]cyclohexyl]methoxy]benzene
CID 139334314
2,3-difluoro-1-methyl-4-[(4-methylcyclohexyl)methoxy]benzene;ethane
CID 145011796
fluoromethane;[1-[2-[2-[4-(4-methylcyclohexyl)cyclohexyl]acetyl]oxy-5,6,7,8-tetrahydronaphthalen-1-yl]-5,6,7,8-tetrahydronaphthalen-2-yl] 2-[4-(4-methylcyclohexyl)cyclohexyl]acetate;[1-[2-[2-[4-(4-methylcyclohexyl)phenyl]acetyl]oxy-5,6,7,8-tetrahydronaphthalen-1-yl]-5,6,7,8-tetrahydronaphthalen-2-yl] 2-[4-(4-methylcyclohexyl)phenyl]acetate;[1-[2-[2-[4-[4-(4-methylcyclohexyl)phenyl]phenyl]acetyl]oxy-5,6,7,8-tetrahydronaphthalen-1-yl]-5,6,7,8-tetrahydronaphthalen-2-yl] 2-[4-[4-(4-methylcyclohexyl)phenyl]phenyl]acetate;[1-[2-[2-[4-[4-(4-methylcyclohexyl)phenyl]phenyl]acetyl]oxy-5,6,7,8-tetrahydronaphthalen-1-yl]-5,6,7,8-tetrahydronaphthalen-2-yl] 2-[4-(4-methylphenyl)phenyl]acetate;[1-[2-[2-[4-(4-methylphenyl)phenyl]acetyl]oxy-5,6,7,8-tetrahydronaphthalen-1-yl]-5,6,7,8-tetrahydronaphthalen-2-yl] 2-[4-(4-methylphenyl)phenyl]acetate;[1-[2-[2-[4-[4-(4-methylphenyl)phenyl]phenyl]acetyl]oxy-5,6,7,8-tetrahydronaphthalen-1-yl]-5,6,7,8-tetrahydronaphthalen-2-yl] 2-[4-[4-(4-methylphenyl)phenyl]phenyl]acetate
CID 158075086
2-fluoro-1-methyl-3-[(4-methylcyclohexyl)methoxy]benzene
CID 143507707
methanethiol;1-methyl-4-[[4-(4-methylcyclohexyl)cyclohexyl]methoxy]benzene
CID 144724148
1-[[4-(4-ethylcyclohexyl)cyclohexyl]methoxy]-2,3-difluoro-4-propoxybenzene
CID 19792980
1-(cyclopropylmethoxy)-4-ethyl-2-methylbenzene
CID 155323138
4-[[4-[(E)-2-[4-(4-methylcyclohexyl)cyclohexyl]ethenyl]cyclohexyl]methoxy]-2-phosphanylbenzene-1,3-diol
CID 143639288
5-[(3-methylcyclopentyl)methoxy]-1,2,3,4-tetrahydroquinoline
CID 115075113
2-[4-[(2,3-difluoro-4-methylphenoxy)methyl]cyclohexyl]-6-propyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 67967271

Frequently Asked Questions

What is the IUPAC name of 6-[[4-(4-methylcyclohexyl)cyclohexyl]methoxy]-5-[2-[[4-(4-methylcyclohexyl)cyclohexyl]methoxy]-5,6,7,8-tetrahydronaphthalen-1-yl]-1,2,3,4-tetrahydronaphthalene?
The IUPAC name of 6-[[4-(4-methylcyclohexyl)cyclohexyl]methoxy]-5-[2-[[4-(4-methylcyclohexyl)cyclohexyl]methoxy]-5,6,7,8-tetrahydronaphthalen-1-yl]-1,2,3,4-tetrahydronaphthalene (CID 118444931) is 6-[[4-(4-methylcyclohexyl)cyclohexyl]methoxy]-5-[2-[[4-(4-methylcyclohexyl)cyclohexyl]methoxy]-5,6,7,8-tetrahydronaphthalen-1-yl]-1,2,3,4-tetrahydronaphthalene.
What is the SMILES notation for 6-[[4-(4-methylcyclohexyl)cyclohexyl]methoxy]-5-[2-[[4-(4-methylcyclohexyl)cyclohexyl]methoxy]-5,6,7,8-tetrahydronaphthalen-1-yl]-1,2,3,4-tetrahydronaphthalene?
The canonical SMILES for 6-[[4-(4-methylcyclohexyl)cyclohexyl]methoxy]-5-[2-[[4-(4-methylcyclohexyl)cyclohexyl]methoxy]-5,6,7,8-tetrahydronaphthalen-1-yl]-1,2,3,4-tetrahydronaphthalene is CC1CCC(C2CCC(COc3ccc4c(c3-c3c(OCC5CCC(C6CCC(C)CC6)CC5)ccc5c3CCCC5)CCCC4)CC2)CC1.
What is the InChIKey of 6-[[4-(4-methylcyclohexyl)cyclohexyl]methoxy]-5-[2-[[4-(4-methylcyclohexyl)cyclohexyl]methoxy]-5,6,7,8-tetrahydronaphthalen-1-yl]-1,2,3,4-tetrahydronaphthalene?
The InChIKey is BRZIAEZUUCUVFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H70O2/c1-33-11-19-37(20-12-33)39-23-15-35(16-24-39)31-49-45-29-27-41-7-3-5-9-43(41)47(45)48-44-10-6-4-8-42(44)28-30-46(48)50-32-36-17-25-40(26-18-36)38-21-13-34(2)14-22-38/h27-30,33-40H,3-26,31-32H2,1-2H3.
What are the key properties of 6-[[4-(4-methylcyclohexyl)cyclohexyl]methoxy]-5-[2-[[4-(4-methylcyclohexyl)cyclohexyl]methoxy]-5,6,7,8-tetrahydronaphthalen-1-yl]-1,2,3,4-tetrahydronaphthalene?
6-[[4-(4-methylcyclohexyl)cyclohexyl]methoxy]-5-[2-[[4-(4-methylcyclohexyl)cyclohexyl]methoxy]-5,6,7,8-tetrahydronaphthalen-1-yl]-1,2,3,4-tetrahydronaphthalene has a molecular weight of 679.09 g/mol, XLogP of 13.13, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[4-(4-methylcyclohexyl)cyclohexyl]methoxy]-5-[2-[[4-(4-methylcyclohexyl)cyclohexyl]methoxy]-5,6,7,8-tetrahydronaphthalen-1-yl]-1,2,3,4-tetrahydronaphthalene is sourced from PubChem (CID 118444931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).