8-(2-methylprop-1-enoxy)tricyclo[5.2.1.02,6]decane

C14H22O — CID 59602559

IUPAC8-(2-methylprop-1-enoxy)tricyclo[5.2.1.02,6]decane
SMILESCC(C)=COC1CC2CC1C1CCCC21
InChIInChI=1S/C14H22O/c1-9(2)8-15-14-7-10-6-13(14)12-5-3-4-11(10)12/h8,10-14H,3-7H2,1-2H3
InChIKeyPTHJQYPJNIRLOU-UHFFFAOYSA-N
MW206.33 g/mol
LogP3.75
Rot. Bonds2

About 8-(2-methylprop-1-enoxy)tricyclo[5.2.1.02,6]decane

8-(2-methylprop-1-enoxy)tricyclo[5.2.1.02,6]decane (PubChem CID 59602559) has the molecular formula C14H22O and a molecular weight of 206.33 g/mol. Its IUPAC name is 8-(2-methylprop-1-enoxy)tricyclo[5.2.1.02,6]decane.

Molecular Properties

Compound Name8-(2-methylprop-1-enoxy)tricyclo[5.2.1.02,6]decane
PubChem CID59602559
Molecular FormulaC14H22O
Molecular Weight206.33 g/mol
Exact Mass206.17
IUPAC Name8-(2-methylprop-1-enoxy)tricyclo[5.2.1.02,6]decane
SMILESCC(C)=COC1CC2CC1C1CCCC21
InChIInChI=1S/C14H22O/c1-9(2)8-15-14-7-10-6-13(14)12-5-3-4-11(10)12/h8,10-14H,3-7H2,1-2H3
InChIKeyPTHJQYPJNIRLOU-UHFFFAOYSA-N
XLogP3.75
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.33
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 8-(2-methylprop-1-enoxy)tricyclo[5.2.1.02,6]decane?
The IUPAC name of 8-(2-methylprop-1-enoxy)tricyclo[5.2.1.02,6]decane (CID 59602559) is 8-(2-methylprop-1-enoxy)tricyclo[5.2.1.02,6]decane.
What is the SMILES notation for 8-(2-methylprop-1-enoxy)tricyclo[5.2.1.02,6]decane?
The canonical SMILES for 8-(2-methylprop-1-enoxy)tricyclo[5.2.1.02,6]decane is CC(C)=COC1CC2CC1C1CCCC21.
What is the InChIKey of 8-(2-methylprop-1-enoxy)tricyclo[5.2.1.02,6]decane?
The InChIKey is PTHJQYPJNIRLOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O/c1-9(2)8-15-14-7-10-6-13(14)12-5-3-4-11(10)12/h8,10-14H,3-7H2,1-2H3.
What are the key properties of 8-(2-methylprop-1-enoxy)tricyclo[5.2.1.02,6]decane?
8-(2-methylprop-1-enoxy)tricyclo[5.2.1.02,6]decane has a molecular weight of 206.33 g/mol, XLogP of 3.75, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2-methylprop-1-enoxy)tricyclo[5.2.1.02,6]decane is sourced from PubChem (CID 59602559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).