cyclohexanol;bis(hexaconta-2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,34,36,38,40,42,44,46,48,50,52,54,56,58-nonacosayne);methylcyclohexane

C133H38O — CID 91468755

IUPACcyclohexanol;bis(hexaconta-2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,34,36,38,40,42,44,46,48,50,52,54,56,58-nonacosayne);methylcyclohexane
SMILESCC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC.CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC.CC1CCCCC1.OC1CCCCC1
InChIInChI=1S/2C60H6.C7H14.C6H12O/c2*1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-43-45-47-49-51-53-55-57-59-60-58-56-54-52-50-48-46-44-42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2;1-7-5-3-2-4-6-7;7-6-4-2-1-3-5-6/h2*1-2H3;7H,2-6H2,1H3;6-7H,1-5H2
InChIKeyXUPNJRVHBKCQSE-UHFFFAOYSA-N
MW1651.77 g/mol
LogP6.15
Rot. Bonds

About cyclohexanol;bis(hexaconta-2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,34,36,38,40,42,44,46,48,50,52,54,56,58-nonacosayne);methylcyclohexane

cyclohexanol;bis(hexaconta-2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,34,36,38,40,42,44,46,48,50,52,54,56,58-nonacosayne);methylcyclohexane (PubChem CID 91468755) has the molecular formula C133H38O and a molecular weight of 1651.77 g/mol. Its IUPAC name is cyclohexanol;bis(hexaconta-2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,34,36,38,40,42,44,46,48,50,52,54,56,58-nonacosayne);methylcyclohexane.

Molecular Properties

Compound Namecyclohexanol;bis(hexaconta-2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,34,36,38,40,42,44,46,48,50,52,54,56,58-nonacosayne);methylcyclohexane
PubChem CID91468755
Molecular FormulaC133H38O
Molecular Weight1651.77 g/mol
Exact Mass1650.29
IUPAC Namecyclohexanol;bis(hexaconta-2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,34,36,38,40,42,44,46,48,50,52,54,56,58-nonacosayne);methylcyclohexane
SMILESCC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC.CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC.CC1CCCCC1.OC1CCCCC1
InChIInChI=1S/2C60H6.C7H14.C6H12O/c2*1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-43-45-47-49-51-53-55-57-59-60-58-56-54-52-50-48-46-44-42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2;1-7-5-3-2-4-6-7;7-6-4-2-1-3-5-6/h2*1-2H3;7H,2-6H2,1H3;6-7H,1-5H2
InChIKeyXUPNJRVHBKCQSE-UHFFFAOYSA-N
XLogP6.15
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms134
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001651.77
LogP ≤ 56.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze cyclohexanol;bis(hexaconta-2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,34,36,38,40,42,44,46,48,50,52,54,56,58-nonacosayne);methylcyclohexane with MolForge

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Related Compounds

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CID 91199081
cyclohexane;methylcyclopentane
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CID 22461579
1,6-dimethylcycloundecane
CID 91298161
3-methylcyclononan-1-ol
CID 143603449
(1S)-3-methylcyclopentadecan-1-ol
CID 177450802
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CID 146901686
ethane;methylcyclohexane;methylcyclopentane
CID 159395989
methane;methylcyclohexane
CID 143705611

Frequently Asked Questions

What is the IUPAC name of cyclohexanol;bis(hexaconta-2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,34,36,38,40,42,44,46,48,50,52,54,56,58-nonacosayne);methylcyclohexane?
The IUPAC name of cyclohexanol;bis(hexaconta-2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,34,36,38,40,42,44,46,48,50,52,54,56,58-nonacosayne);methylcyclohexane (CID 91468755) is cyclohexanol;bis(hexaconta-2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,34,36,38,40,42,44,46,48,50,52,54,56,58-nonacosayne);methylcyclohexane.
What is the SMILES notation for cyclohexanol;bis(hexaconta-2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,34,36,38,40,42,44,46,48,50,52,54,56,58-nonacosayne);methylcyclohexane?
The canonical SMILES for cyclohexanol;bis(hexaconta-2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,34,36,38,40,42,44,46,48,50,52,54,56,58-nonacosayne);methylcyclohexane is CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC.CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC.CC1CCCCC1.OC1CCCCC1.
What is the InChIKey of cyclohexanol;bis(hexaconta-2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,34,36,38,40,42,44,46,48,50,52,54,56,58-nonacosayne);methylcyclohexane?
The InChIKey is XUPNJRVHBKCQSE-UHFFFAOYSA-N. The full InChI is InChI=1S/2C60H6.C7H14.C6H12O/c2*1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-43-45-47-49-51-53-55-57-59-60-58-56-54-52-50-48-46-44-42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2;1-7-5-3-2-4-6-7;7-6-4-2-1-3-5-6/h2*1-2H3;7H,2-6H2,1H3;6-7H,1-5H2.
What are the key properties of cyclohexanol;bis(hexaconta-2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,34,36,38,40,42,44,46,48,50,52,54,56,58-nonacosayne);methylcyclohexane?
cyclohexanol;bis(hexaconta-2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,34,36,38,40,42,44,46,48,50,52,54,56,58-nonacosayne);methylcyclohexane has a molecular weight of 1651.77 g/mol, XLogP of 6.15, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexanol;bis(hexaconta-2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,34,36,38,40,42,44,46,48,50,52,54,56,58-nonacosayne);methylcyclohexane is sourced from PubChem (CID 91468755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).