(2R,6S,7R)-1,7-dimethyl-7-(2-methylprop-1-enoxymethyl)tricyclo[2.2.1.02,6]heptane

C14H22O — CID 98125613

IUPAC(2R,6S,7R)-1,7-dimethyl-7-(2-methylprop-1-enoxymethyl)tricyclo[2.2.1.02,6]heptane
SMILESCC(C)=COC[C@]1(C)C2C[C@@H]3[C@H](C2)C31C
InChIInChI=1S/C14H22O/c1-9(2)7-15-8-13(3)10-5-11-12(6-10)14(11,13)4/h7,10-12H,5-6,8H2,1-4H3/t10?,11-,12+,13-,14?/m1/s1
InChIKeyRYJUGUBHNQVNHA-ANNIKCPVSA-N
MW206.33 g/mol
LogP3.61
Rot. Bonds3

About (2R,6S,7R)-1,7-dimethyl-7-(2-methylprop-1-enoxymethyl)tricyclo[2.2.1.02,6]heptane

(2R,6S,7R)-1,7-dimethyl-7-(2-methylprop-1-enoxymethyl)tricyclo[2.2.1.02,6]heptane (PubChem CID 98125613) has the molecular formula C14H22O and a molecular weight of 206.33 g/mol. Its IUPAC name is (2R,6S,7R)-1,7-dimethyl-7-(2-methylprop-1-enoxymethyl)tricyclo[2.2.1.02,6]heptane.

Molecular Properties

Compound Name(2R,6S,7R)-1,7-dimethyl-7-(2-methylprop-1-enoxymethyl)tricyclo[2.2.1.02,6]heptane
PubChem CID98125613
Molecular FormulaC14H22O
Molecular Weight206.33 g/mol
Exact Mass206.17
IUPAC Name(2R,6S,7R)-1,7-dimethyl-7-(2-methylprop-1-enoxymethyl)tricyclo[2.2.1.02,6]heptane
SMILESCC(C)=COC[C@]1(C)C2C[C@@H]3[C@H](C2)C31C
InChIInChI=1S/C14H22O/c1-9(2)7-15-8-13(3)10-5-11-12(6-10)14(11,13)4/h7,10-12H,5-6,8H2,1-4H3/t10?,11-,12+,13-,14?/m1/s1
InChIKeyRYJUGUBHNQVNHA-ANNIKCPVSA-N
XLogP3.61
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.33
LogP ≤ 53.61
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 (2R,6S,7R)-1,7-dimethyl-7-(2-methylprop-1-enoxymethyl)tricyclo[2.2.1.02,6]heptane?
The IUPAC name of (2R,6S,7R)-1,7-dimethyl-7-(2-methylprop-1-enoxymethyl)tricyclo[2.2.1.02,6]heptane (CID 98125613) is (2R,6S,7R)-1,7-dimethyl-7-(2-methylprop-1-enoxymethyl)tricyclo[2.2.1.02,6]heptane.
What is the SMILES notation for (2R,6S,7R)-1,7-dimethyl-7-(2-methylprop-1-enoxymethyl)tricyclo[2.2.1.02,6]heptane?
The canonical SMILES for (2R,6S,7R)-1,7-dimethyl-7-(2-methylprop-1-enoxymethyl)tricyclo[2.2.1.02,6]heptane is CC(C)=COC[C@]1(C)C2C[C@@H]3[C@H](C2)C31C.
What is the InChIKey of (2R,6S,7R)-1,7-dimethyl-7-(2-methylprop-1-enoxymethyl)tricyclo[2.2.1.02,6]heptane?
The InChIKey is RYJUGUBHNQVNHA-ANNIKCPVSA-N. The full InChI is InChI=1S/C14H22O/c1-9(2)7-15-8-13(3)10-5-11-12(6-10)14(11,13)4/h7,10-12H,5-6,8H2,1-4H3/t10?,11-,12+,13-,14?/m1/s1.
What are the key properties of (2R,6S,7R)-1,7-dimethyl-7-(2-methylprop-1-enoxymethyl)tricyclo[2.2.1.02,6]heptane?
(2R,6S,7R)-1,7-dimethyl-7-(2-methylprop-1-enoxymethyl)tricyclo[2.2.1.02,6]heptane has a molecular weight of 206.33 g/mol, XLogP of 3.61, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,6S,7R)-1,7-dimethyl-7-(2-methylprop-1-enoxymethyl)tricyclo[2.2.1.02,6]heptane is sourced from PubChem (CID 98125613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).