4-[4-[2-[4-(cyclopropylmethoxy)cyclohexyl]propan-2-yl]cyclohexyl]oxy-1-[4-[2-[4-(2,4-dimethylhexan-2-yloxy)cyclohexyl]propan-2-yl]cyclohexyl]oxy-4-methylpentan-2-ol

C48H88O5 — CID 167477280

IUPAC4-[4-[2-[4-(cyclopropylmethoxy)cyclohexyl]propan-2-yl]cyclohexyl]oxy-1-[4-[2-[4-(2,4-dimethylhexan-2-yloxy)cyclohexyl]propan-2-yl]cyclohexyl]oxy-4-methylpentan-2-ol
SMILESCCC(C)CC(C)(C)OC1CCC(C(C)(C)C2CCC(OCC(O)CC(C)(C)OC3CCC(C(C)(C)C4CCC(OCC5CC5)CC4)CC3)CC2)CC1
InChIInChI=1S/C48H88O5/c1-11-34(2)30-45(3,4)52-43-26-18-38(19-27-43)48(9,10)37-16-24-42(25-17-37)51-33-40(49)31-46(5,6)53-44-28-20-39(21-29-44)47(7,8)36-14-22-41(23-15-36)50-32-35-12-13-35/h34-44,49H,11-33H2,1-10H3
InChIKeyRDNMOORGPRLZCM-UHFFFAOYSA-N
MW745.23 g/mol
LogP12.49
Rot. Bonds19

About 4-[4-[2-[4-(cyclopropylmethoxy)cyclohexyl]propan-2-yl]cyclohexyl]oxy-1-[4-[2-[4-(2,4-dimethylhexan-2-yloxy)cyclohexyl]propan-2-yl]cyclohexyl]oxy-4-methylpentan-2-ol

4-[4-[2-[4-(cyclopropylmethoxy)cyclohexyl]propan-2-yl]cyclohexyl]oxy-1-[4-[2-[4-(2,4-dimethylhexan-2-yloxy)cyclohexyl]propan-2-yl]cyclohexyl]oxy-4-methylpentan-2-ol (PubChem CID 167477280) has the molecular formula C48H88O5 and a molecular weight of 745.23 g/mol. Its IUPAC name is 4-[4-[2-[4-(cyclopropylmethoxy)cyclohexyl]propan-2-yl]cyclohexyl]oxy-1-[4-[2-[4-(2,4-dimethylhexan-2-yloxy)cyclohexyl]propan-2-yl]cyclohexyl]oxy-4-methylpentan-2-ol.

Molecular Properties

Compound Name4-[4-[2-[4-(cyclopropylmethoxy)cyclohexyl]propan-2-yl]cyclohexyl]oxy-1-[4-[2-[4-(2,4-dimethylhexan-2-yloxy)cyclohexyl]propan-2-yl]cyclohexyl]oxy-4-methylpentan-2-ol
PubChem CID167477280
Molecular FormulaC48H88O5
Molecular Weight745.23 g/mol
Exact Mass744.66
IUPAC Name4-[4-[2-[4-(cyclopropylmethoxy)cyclohexyl]propan-2-yl]cyclohexyl]oxy-1-[4-[2-[4-(2,4-dimethylhexan-2-yloxy)cyclohexyl]propan-2-yl]cyclohexyl]oxy-4-methylpentan-2-ol
SMILESCCC(C)CC(C)(C)OC1CCC(C(C)(C)C2CCC(OCC(O)CC(C)(C)OC3CCC(C(C)(C)C4CCC(OCC5CC5)CC4)CC3)CC2)CC1
InChIInChI=1S/C48H88O5/c1-11-34(2)30-45(3,4)52-43-26-18-38(19-27-43)48(9,10)37-16-24-42(25-17-37)51-33-40(49)31-46(5,6)53-44-28-20-39(21-29-44)47(7,8)36-14-22-41(23-15-36)50-32-35-12-13-35/h34-44,49H,11-33H2,1-10H3
InChIKeyRDNMOORGPRLZCM-UHFFFAOYSA-N
XLogP12.49
TPSA57.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds19
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500745.23
LogP ≤ 512.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-[4-[2-[4-(cyclopropylmethoxy)cyclohexyl]propan-2-yl]cyclohexyl]oxy-1-[4-[2-[4-(2,4-dimethylhexan-2-yloxy)cyclohexyl]propan-2-yl]cyclohexyl]oxy-4-methylpentan-2-ol with MolForge

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Launch Full Analysis

Related Compounds

1,3-bis[[4-[2-[4-(oxiran-2-ylmethoxy)cyclohexyl]propan-2-yl]cyclohexyl]oxy]propan-2-ol;2-[[4-[2-[4-(oxiran-2-ylmethoxy)cyclohexyl]propan-2-yl]cyclohexyl]oxymethyl]oxirane
CID 161181502
1,3-bis[[4-[2-[4-(oxiran-2-ylmethoxy)cyclohexyl]propan-2-yl]cyclohexyl]oxy]propan-2-ol;2-methyloxirane
CID 159772295
2-[2-[4-[2-[4-(cyclopropylmethoxy)cyclohexyl]propan-2-yl]cyclohexyl]ethyl]phosphirane
CID 171830978
1,4-bis(cyclopropylmethoxy)cyclohexane
CID 147967519
1-[4-[2-[4-[2-hydroxy-3-(2,4,6-tribromocyclohexyl)oxypropoxy]cyclohexyl]propan-2-yl]cyclohexyl]oxy-3-methoxypropan-2-ol
CID 140628864
1-methoxy-4-[2-[4-(2-methoxypropoxy)cyclohexyl]propan-2-yl]cyclohexane
CID 145052440
1-(4-tert-butylcyclohexyl)oxy-3-(diethylamino)propan-2-ol
CID 2870541
4-[2-(4-ethoxycyclohexyl)propan-2-yl]cyclohexan-1-ol
CID 70671036
1-[2,3-di(propan-2-yloxy)propoxy]-4-[2-[4-[2,3-di(propan-2-yloxy)propoxy]cyclohexyl]propan-2-yl]cyclohexane
CID 135274447
4-[2-[4-(oxiran-2-ylmethoxy)cyclohexyl]propan-2-yl]cyclohexan-1-ol
CID 89323282
[4-[2-hydroxy-3-(propan-2-ylamino)propoxy]cyclohexyl]methyl propanoate
CID 140578719
[4-(2-methylpropoxy)cyclohexyl]methanol
CID 106825238

Frequently Asked Questions

What is the IUPAC name of 4-[4-[2-[4-(cyclopropylmethoxy)cyclohexyl]propan-2-yl]cyclohexyl]oxy-1-[4-[2-[4-(2,4-dimethylhexan-2-yloxy)cyclohexyl]propan-2-yl]cyclohexyl]oxy-4-methylpentan-2-ol?
The IUPAC name of 4-[4-[2-[4-(cyclopropylmethoxy)cyclohexyl]propan-2-yl]cyclohexyl]oxy-1-[4-[2-[4-(2,4-dimethylhexan-2-yloxy)cyclohexyl]propan-2-yl]cyclohexyl]oxy-4-methylpentan-2-ol (CID 167477280) is 4-[4-[2-[4-(cyclopropylmethoxy)cyclohexyl]propan-2-yl]cyclohexyl]oxy-1-[4-[2-[4-(2,4-dimethylhexan-2-yloxy)cyclohexyl]propan-2-yl]cyclohexyl]oxy-4-methylpentan-2-ol.
What is the SMILES notation for 4-[4-[2-[4-(cyclopropylmethoxy)cyclohexyl]propan-2-yl]cyclohexyl]oxy-1-[4-[2-[4-(2,4-dimethylhexan-2-yloxy)cyclohexyl]propan-2-yl]cyclohexyl]oxy-4-methylpentan-2-ol?
The canonical SMILES for 4-[4-[2-[4-(cyclopropylmethoxy)cyclohexyl]propan-2-yl]cyclohexyl]oxy-1-[4-[2-[4-(2,4-dimethylhexan-2-yloxy)cyclohexyl]propan-2-yl]cyclohexyl]oxy-4-methylpentan-2-ol is CCC(C)CC(C)(C)OC1CCC(C(C)(C)C2CCC(OCC(O)CC(C)(C)OC3CCC(C(C)(C)C4CCC(OCC5CC5)CC4)CC3)CC2)CC1.
What is the InChIKey of 4-[4-[2-[4-(cyclopropylmethoxy)cyclohexyl]propan-2-yl]cyclohexyl]oxy-1-[4-[2-[4-(2,4-dimethylhexan-2-yloxy)cyclohexyl]propan-2-yl]cyclohexyl]oxy-4-methylpentan-2-ol?
The InChIKey is RDNMOORGPRLZCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H88O5/c1-11-34(2)30-45(3,4)52-43-26-18-38(19-27-43)48(9,10)37-16-24-42(25-17-37)51-33-40(49)31-46(5,6)53-44-28-20-39(21-29-44)47(7,8)36-14-22-41(23-15-36)50-32-35-12-13-35/h34-44,49H,11-33H2,1-10H3.
What are the key properties of 4-[4-[2-[4-(cyclopropylmethoxy)cyclohexyl]propan-2-yl]cyclohexyl]oxy-1-[4-[2-[4-(2,4-dimethylhexan-2-yloxy)cyclohexyl]propan-2-yl]cyclohexyl]oxy-4-methylpentan-2-ol?
4-[4-[2-[4-(cyclopropylmethoxy)cyclohexyl]propan-2-yl]cyclohexyl]oxy-1-[4-[2-[4-(2,4-dimethylhexan-2-yloxy)cyclohexyl]propan-2-yl]cyclohexyl]oxy-4-methylpentan-2-ol has a molecular weight of 745.23 g/mol, XLogP of 12.49, 19 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[2-[4-(cyclopropylmethoxy)cyclohexyl]propan-2-yl]cyclohexyl]oxy-1-[4-[2-[4-(2,4-dimethylhexan-2-yloxy)cyclohexyl]propan-2-yl]cyclohexyl]oxy-4-methylpentan-2-ol is sourced from PubChem (CID 167477280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).