ethanol;4-tetracyclo[6.2.1.13,6.02,7]dodecanylmethanol

C15H26O2 — CID 159961877

IUPACethanol;4-tetracyclo[6.2.1.13,6.02,7]dodecanylmethanol
SMILESCCO.OCC1CC2CC1C1C3CCC(C3)C21
InChIInChI=1S/C13H20O.C2H6O/c14-6-10-4-9-5-11(10)13-8-2-1-7(3-8)12(9)13;1-2-3/h7-14H,1-6H2;3H,2H2,1H3
InChIKeyODKZXHINPAZUHT-UHFFFAOYSA-N
MW238.37 g/mol
LogP2.30
Rot. Bonds1

About ethanol;4-tetracyclo[6.2.1.13,6.02,7]dodecanylmethanol

ethanol;4-tetracyclo[6.2.1.13,6.02,7]dodecanylmethanol (PubChem CID 159961877) has the molecular formula C15H26O2 and a molecular weight of 238.37 g/mol. Its IUPAC name is ethanol;4-tetracyclo[6.2.1.13,6.02,7]dodecanylmethanol.

Molecular Properties

Compound Nameethanol;4-tetracyclo[6.2.1.13,6.02,7]dodecanylmethanol
PubChem CID159961877
Molecular FormulaC15H26O2
Molecular Weight238.37 g/mol
Exact Mass238.19
IUPAC Nameethanol;4-tetracyclo[6.2.1.13,6.02,7]dodecanylmethanol
SMILESCCO.OCC1CC2CC1C1C3CCC(C3)C21
InChIInChI=1S/C13H20O.C2H6O/c14-6-10-4-9-5-11(10)13-8-2-1-7(3-8)12(9)13;1-2-3/h7-14H,1-6H2;3H,2H2,1H3
InChIKeyODKZXHINPAZUHT-UHFFFAOYSA-N
XLogP2.30
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethanol;4-tetracyclo[6.2.1.13,6.02,7]dodecanylmethanol?
The IUPAC name of ethanol;4-tetracyclo[6.2.1.13,6.02,7]dodecanylmethanol (CID 159961877) is ethanol;4-tetracyclo[6.2.1.13,6.02,7]dodecanylmethanol.
What is the SMILES notation for ethanol;4-tetracyclo[6.2.1.13,6.02,7]dodecanylmethanol?
The canonical SMILES for ethanol;4-tetracyclo[6.2.1.13,6.02,7]dodecanylmethanol is CCO.OCC1CC2CC1C1C3CCC(C3)C21.
What is the InChIKey of ethanol;4-tetracyclo[6.2.1.13,6.02,7]dodecanylmethanol?
The InChIKey is ODKZXHINPAZUHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O.C2H6O/c14-6-10-4-9-5-11(10)13-8-2-1-7(3-8)12(9)13;1-2-3/h7-14H,1-6H2;3H,2H2,1H3.
What are the key properties of ethanol;4-tetracyclo[6.2.1.13,6.02,7]dodecanylmethanol?
ethanol;4-tetracyclo[6.2.1.13,6.02,7]dodecanylmethanol has a molecular weight of 238.37 g/mol, XLogP of 2.30, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethanol;4-tetracyclo[6.2.1.13,6.02,7]dodecanylmethanol is sourced from PubChem (CID 159961877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).