2-(5,6-diethyl-2-bicyclo[2.2.1]heptanyl)propan-2-ol

C14H26O — CID 59653751

IUPAC2-(5,6-diethyl-2-bicyclo[2.2.1]heptanyl)propan-2-ol
SMILESCCC1C2CC(C1CC)C(C(C)(C)O)C2
InChIInChI=1S/C14H26O/c1-5-10-9-7-12(11(10)6-2)13(8-9)14(3,4)15/h9-13,15H,5-8H2,1-4H3
InChIKeyIUEDGSPSWLLYOU-UHFFFAOYSA-N
MW210.36 g/mol
LogP3.47
Rot. Bonds3

About 2-(5,6-diethyl-2-bicyclo[2.2.1]heptanyl)propan-2-ol

2-(5,6-diethyl-2-bicyclo[2.2.1]heptanyl)propan-2-ol (PubChem CID 59653751) has the molecular formula C14H26O and a molecular weight of 210.36 g/mol. Its IUPAC name is 2-(5,6-diethyl-2-bicyclo[2.2.1]heptanyl)propan-2-ol.

Molecular Properties

Compound Name2-(5,6-diethyl-2-bicyclo[2.2.1]heptanyl)propan-2-ol
PubChem CID59653751
Molecular FormulaC14H26O
Molecular Weight210.36 g/mol
Exact Mass210.20
IUPAC Name2-(5,6-diethyl-2-bicyclo[2.2.1]heptanyl)propan-2-ol
SMILESCCC1C2CC(C1CC)C(C(C)(C)O)C2
InChIInChI=1S/C14H26O/c1-5-10-9-7-12(11(10)6-2)13(8-9)14(3,4)15/h9-13,15H,5-8H2,1-4H3
InChIKeyIUEDGSPSWLLYOU-UHFFFAOYSA-N
XLogP3.47
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.36
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(5,6-diethyl-2-bicyclo[2.2.1]heptanyl)propan-2-ol?
The IUPAC name of 2-(5,6-diethyl-2-bicyclo[2.2.1]heptanyl)propan-2-ol (CID 59653751) is 2-(5,6-diethyl-2-bicyclo[2.2.1]heptanyl)propan-2-ol.
What is the SMILES notation for 2-(5,6-diethyl-2-bicyclo[2.2.1]heptanyl)propan-2-ol?
The canonical SMILES for 2-(5,6-diethyl-2-bicyclo[2.2.1]heptanyl)propan-2-ol is CCC1C2CC(C1CC)C(C(C)(C)O)C2.
What is the InChIKey of 2-(5,6-diethyl-2-bicyclo[2.2.1]heptanyl)propan-2-ol?
The InChIKey is IUEDGSPSWLLYOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O/c1-5-10-9-7-12(11(10)6-2)13(8-9)14(3,4)15/h9-13,15H,5-8H2,1-4H3.
What are the key properties of 2-(5,6-diethyl-2-bicyclo[2.2.1]heptanyl)propan-2-ol?
2-(5,6-diethyl-2-bicyclo[2.2.1]heptanyl)propan-2-ol has a molecular weight of 210.36 g/mol, XLogP of 3.47, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,6-diethyl-2-bicyclo[2.2.1]heptanyl)propan-2-ol is sourced from PubChem (CID 59653751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).