2-(9,10-dimethyl-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)-6-methoxyhexan-2-ol

C21H36O2 — CID 21361797

IUPAC2-(9,10-dimethyl-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)-6-methoxyhexan-2-ol
SMILESCOCCCCC(C)(O)C1CC2CC1C1C3CC(C(C)C3C)C21
InChIInChI=1S/C21H36O2/c1-12-13(2)16-11-15(12)19-14-9-17(20(16)19)18(10-14)21(3,22)7-5-6-8-23-4/h12-20,22H,5-11H2,1-4H3
InChIKeySZKULOYJBXYANQ-UHFFFAOYSA-N
MW320.52 g/mol
LogP4.36
Rot. Bonds6

About 2-(9,10-dimethyl-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)-6-methoxyhexan-2-ol

2-(9,10-dimethyl-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)-6-methoxyhexan-2-ol (PubChem CID 21361797) has the molecular formula C21H36O2 and a molecular weight of 320.52 g/mol. Its IUPAC name is 2-(9,10-dimethyl-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)-6-methoxyhexan-2-ol.

Molecular Properties

Compound Name2-(9,10-dimethyl-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)-6-methoxyhexan-2-ol
PubChem CID21361797
Molecular FormulaC21H36O2
Molecular Weight320.52 g/mol
Exact Mass320.27
IUPAC Name2-(9,10-dimethyl-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)-6-methoxyhexan-2-ol
SMILESCOCCCCC(C)(O)C1CC2CC1C1C3CC(C(C)C3C)C21
InChIInChI=1S/C21H36O2/c1-12-13(2)16-11-15(12)19-14-9-17(20(16)19)18(10-14)21(3,22)7-5-6-8-23-4/h12-20,22H,5-11H2,1-4H3
InChIKeySZKULOYJBXYANQ-UHFFFAOYSA-N
XLogP4.36
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.52
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'cyclooctane_1', 'substructure': 'N/A'}

Analyze 2-(9,10-dimethyl-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)-6-methoxyhexan-2-ol with MolForge

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Related Compounds

decyl 9,10-dimethyltetracyclo[6.2.1.13,6.02,7]dodecane-4-carboxylate
CID 91445554
[1-(9,10-dimethyl-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)-5-methoxypentan-2-yl] acetate;[1-(9,10-dimethyl-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)-5-methoxypentyl] acetate
CID 161166810
4,5-dimethyl-9-[3,3,3-trifluoro-2-(2-methoxyethoxymethoxy)-2-(trifluoromethyl)propyl]tetracyclo[6.2.1.13,6.02,7]dodecane
CID 20743946
2-methylbutan-2-yl 9,10-dimethyltetracyclo[6.2.1.13,6.02,7]dodecane-4-carboxylate
CID 18336353
2-(9,10-dimethyl-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)acetic acid
CID 122451932
4,5-dimethyl-9-[3,3,3-trifluoro-2-methyl-2-(trifluoromethyl)propyl]tetracyclo[6.2.1.13,6.02,7]dodecane;ethane
CID 91071116
4-tert-butyl-9-methyltetracyclo[6.2.1.13,6.02,7]dodecane
CID 123907969
4,5,11,12-tetramethylhexacyclo[6.6.1.13,6.110,13.02,7.09,14]heptadecane
CID 23600006
6-methoxy-3-methylhexan-3-ol
CID 114851780
6-methoxy-2-methylhexan-2-amine
CID 94975413
benzene;1,4-dimethoxybutane;ethane
CID 143037536
tert-butyl [2-[(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)methyl]-1,1,1,3,3,3-hexafluoropropan-2-yl] carbonate;tert-butyl [2-[(9,10-dimethyl-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)methyl]-1,1,1,3,3,3-hexafluoropropan-2-yl] carbonate;2-[(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)methyl]-1,1,1,3,3,3-hexafluoropropan-2-ol;2-[(9,10-dimethyl-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)methyl]-1,1,1,3,3,3-hexafluoropropan-2-ol;2,3-dimethyl-5-[3,3,3-trifluoro-2-(2-methoxyethoxymethoxy)-2-(trifluoromethyl)propyl]bicyclo[2.2.1]heptane;5-[2-(ethoxymethoxy)-3,3,3-trifluoro-2-(trifluoromethyl)propyl]-2,3-dimethylbicyclo[2.2.1]heptane
CID 161403149

Frequently Asked Questions

What is the IUPAC name of 2-(9,10-dimethyl-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)-6-methoxyhexan-2-ol?
The IUPAC name of 2-(9,10-dimethyl-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)-6-methoxyhexan-2-ol (CID 21361797) is 2-(9,10-dimethyl-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)-6-methoxyhexan-2-ol.
What is the SMILES notation for 2-(9,10-dimethyl-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)-6-methoxyhexan-2-ol?
The canonical SMILES for 2-(9,10-dimethyl-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)-6-methoxyhexan-2-ol is COCCCCC(C)(O)C1CC2CC1C1C3CC(C(C)C3C)C21.
What is the InChIKey of 2-(9,10-dimethyl-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)-6-methoxyhexan-2-ol?
The InChIKey is SZKULOYJBXYANQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H36O2/c1-12-13(2)16-11-15(12)19-14-9-17(20(16)19)18(10-14)21(3,22)7-5-6-8-23-4/h12-20,22H,5-11H2,1-4H3.
What are the key properties of 2-(9,10-dimethyl-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)-6-methoxyhexan-2-ol?
2-(9,10-dimethyl-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)-6-methoxyhexan-2-ol has a molecular weight of 320.52 g/mol, XLogP of 4.36, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(9,10-dimethyl-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)-6-methoxyhexan-2-ol is sourced from PubChem (CID 21361797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).