2-(methoxymethyl)-5-[4-[4-(4-pentylphenyl)cyclohexyl]cyclohexyl]pentan-1-ol

C30H50O2 — CID 142282850

IUPAC2-(methoxymethyl)-5-[4-[4-(4-pentylphenyl)cyclohexyl]cyclohexyl]pentan-1-ol
SMILESCCCCCc1ccc(C2CCC(C3CCC(CCCC(CO)COC)CC3)CC2)cc1
InChIInChI=1S/C30H50O2/c1-3-4-5-7-24-10-14-27(15-11-24)29-18-20-30(21-19-29)28-16-12-25(13-17-28)8-6-9-26(22-31)23-32-2/h10-11,14-15,25-26,28-31H,3-9,12-13,16-23H2,1-2H3
InChIKeyDXUFIIANVCQYMZ-UHFFFAOYSA-N
MW442.73 g/mol
LogP7.92
Rot. Bonds13

About 2-(methoxymethyl)-5-[4-[4-(4-pentylphenyl)cyclohexyl]cyclohexyl]pentan-1-ol

2-(methoxymethyl)-5-[4-[4-(4-pentylphenyl)cyclohexyl]cyclohexyl]pentan-1-ol (PubChem CID 142282850) has the molecular formula C30H50O2 and a molecular weight of 442.73 g/mol. Its IUPAC name is 2-(methoxymethyl)-5-[4-[4-(4-pentylphenyl)cyclohexyl]cyclohexyl]pentan-1-ol.

Molecular Properties

Compound Name2-(methoxymethyl)-5-[4-[4-(4-pentylphenyl)cyclohexyl]cyclohexyl]pentan-1-ol
PubChem CID142282850
Molecular FormulaC30H50O2
Molecular Weight442.73 g/mol
Exact Mass442.38
IUPAC Name2-(methoxymethyl)-5-[4-[4-(4-pentylphenyl)cyclohexyl]cyclohexyl]pentan-1-ol
SMILESCCCCCc1ccc(C2CCC(C3CCC(CCCC(CO)COC)CC3)CC2)cc1
InChIInChI=1S/C30H50O2/c1-3-4-5-7-24-10-14-27(15-11-24)29-18-20-30(21-19-29)28-16-12-25(13-17-28)8-6-9-26(22-31)23-32-2/h10-11,14-15,25-26,28-31H,3-9,12-13,16-23H2,1-2H3
InChIKeyDXUFIIANVCQYMZ-UHFFFAOYSA-N
XLogP7.92
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.73
LogP ≤ 57.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[2-(formyloxymethyl)-5-[4-[4-(4-pentylphenyl)cyclohexyl]cyclohexyl]pentyl] formate
CID 138529164
2-(hydroxymethyl)prop-2-enal;1-[4-[4-[4-methoxy-3-(methoxymethyl)butyl]cyclohexyl]cyclohexyl]-4-pentylbenzene;2-methylprop-2-enal
CID 142282358
[2-(hydroxymethyl)-4-[4-[4-(4-pentylcyclohexyl)cyclohexyl]phenyl]butyl] 2-methylidenebutanoate
CID 146659711
2-(methoxymethyl)-3-[6-[2-[4-[4-(4-pentylcyclohexyl)cyclohexyl]phenyl]ethyl]naphthalen-2-yl]propan-1-ol;2-methylprop-2-enal
CID 142282721
2-(hydroxymethyl)prop-2-enal;[2-(methoxymethyl)-4-[4-[4-[2-(4-pentylphenyl)ethyl]phenyl]cyclohexyl]butyl] 2-(hydroxymethyl)prop-2-enoate
CID 145411779
1-heptyl-4-[4-[3-(4-nonylcyclohexyl)propoxy]cyclohexyl]benzene
CID 19739262
1-[4-[3-(4-hexylcyclohexyl)propoxy]cyclohexyl]-4-pentylbenzene
CID 19738829
[2-[[2-[(dimethylamino)methyl]-1-hydroxyprop-2-enoxy]methyl]-5-[4-[4-(4-pentylphenyl)cyclohexyl]cyclohexyl]pentyl] 2-methylprop-2-enoate
CID 142282403
1-pentyl-4-[4-[3-(4-propylcyclohexyl)propoxy]cyclohexyl]benzene
CID 19739235
1-pentyl-4-[4-(4-pentylcyclohexyl)phenyl]benzene
CID 15606766
1-nonyl-4-(4-propylcyclohexyl)benzene
CID 20683431
[2-(hydroxymethyl)-4-[4-[4-(4-pentylphenyl)phenyl]cyclohexyl]butyl] 2-(hydroxymethyl)prop-2-enoate;2-(hydroxymethyl)prop-2-enal
CID 145411726

Frequently Asked Questions

What is the IUPAC name of 2-(methoxymethyl)-5-[4-[4-(4-pentylphenyl)cyclohexyl]cyclohexyl]pentan-1-ol?
The IUPAC name of 2-(methoxymethyl)-5-[4-[4-(4-pentylphenyl)cyclohexyl]cyclohexyl]pentan-1-ol (CID 142282850) is 2-(methoxymethyl)-5-[4-[4-(4-pentylphenyl)cyclohexyl]cyclohexyl]pentan-1-ol.
What is the SMILES notation for 2-(methoxymethyl)-5-[4-[4-(4-pentylphenyl)cyclohexyl]cyclohexyl]pentan-1-ol?
The canonical SMILES for 2-(methoxymethyl)-5-[4-[4-(4-pentylphenyl)cyclohexyl]cyclohexyl]pentan-1-ol is CCCCCc1ccc(C2CCC(C3CCC(CCCC(CO)COC)CC3)CC2)cc1.
What is the InChIKey of 2-(methoxymethyl)-5-[4-[4-(4-pentylphenyl)cyclohexyl]cyclohexyl]pentan-1-ol?
The InChIKey is DXUFIIANVCQYMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H50O2/c1-3-4-5-7-24-10-14-27(15-11-24)29-18-20-30(21-19-29)28-16-12-25(13-17-28)8-6-9-26(22-31)23-32-2/h10-11,14-15,25-26,28-31H,3-9,12-13,16-23H2,1-2H3.
What are the key properties of 2-(methoxymethyl)-5-[4-[4-(4-pentylphenyl)cyclohexyl]cyclohexyl]pentan-1-ol?
2-(methoxymethyl)-5-[4-[4-(4-pentylphenyl)cyclohexyl]cyclohexyl]pentan-1-ol has a molecular weight of 442.73 g/mol, XLogP of 7.92, 13 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methoxymethyl)-5-[4-[4-(4-pentylphenyl)cyclohexyl]cyclohexyl]pentan-1-ol is sourced from PubChem (CID 142282850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).