2-[[(1S,2R,4R)-5-ethenyl-1,7,7-trimethyl-2-bicyclo[2.2.1]hept-5-enyl]oxy]oxane

C17H26O2 — CID 11054490

IUPAC2-[[(1S,2R,4R)-5-ethenyl-1,7,7-trimethyl-2-bicyclo[2.2.1]hept-5-enyl]oxy]oxane
SMILESC=CC1=C[C@]2(C)[C@H](OC3CCCCO3)C[C@H]1C2(C)C
InChIInChI=1S/C17H26O2/c1-5-12-11-17(4)14(10-13(12)16(17,2)3)19-15-8-6-7-9-18-15/h5,11,13-15H,1,6-10H2,2-4H3/t13-,14-,15?,17-/m1/s1
InChIKeyBJEIDQOZKFEKKJ-ZFKMNYQISA-N
MW262.39 g/mol
LogP4.08
Rot. Bonds3

About 2-[[(1S,2R,4R)-5-ethenyl-1,7,7-trimethyl-2-bicyclo[2.2.1]hept-5-enyl]oxy]oxane

2-[[(1S,2R,4R)-5-ethenyl-1,7,7-trimethyl-2-bicyclo[2.2.1]hept-5-enyl]oxy]oxane (PubChem CID 11054490) has the molecular formula C17H26O2 and a molecular weight of 262.39 g/mol. Its IUPAC name is 2-[[(1S,2R,4R)-5-ethenyl-1,7,7-trimethyl-2-bicyclo[2.2.1]hept-5-enyl]oxy]oxane.

Molecular Properties

Compound Name2-[[(1S,2R,4R)-5-ethenyl-1,7,7-trimethyl-2-bicyclo[2.2.1]hept-5-enyl]oxy]oxane
PubChem CID11054490
Molecular FormulaC17H26O2
Molecular Weight262.39 g/mol
Exact Mass262.19
IUPAC Name2-[[(1S,2R,4R)-5-ethenyl-1,7,7-trimethyl-2-bicyclo[2.2.1]hept-5-enyl]oxy]oxane
SMILESC=CC1=C[C@]2(C)[C@H](OC3CCCCO3)C[C@H]1C2(C)C
InChIInChI=1S/C17H26O2/c1-5-12-11-17(4)14(10-13(12)16(17,2)3)19-15-8-6-7-9-18-15/h5,11,13-15H,1,6-10H2,2-4H3/t13-,14-,15?,17-/m1/s1
InChIKeyBJEIDQOZKFEKKJ-ZFKMNYQISA-N
XLogP4.08
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.39
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[[(1S,2R,4R)-5-ethenyl-1,7,7-trimethyl-2-bicyclo[2.2.1]hept-5-enyl]oxy]oxane?
The IUPAC name of 2-[[(1S,2R,4R)-5-ethenyl-1,7,7-trimethyl-2-bicyclo[2.2.1]hept-5-enyl]oxy]oxane (CID 11054490) is 2-[[(1S,2R,4R)-5-ethenyl-1,7,7-trimethyl-2-bicyclo[2.2.1]hept-5-enyl]oxy]oxane.
What is the SMILES notation for 2-[[(1S,2R,4R)-5-ethenyl-1,7,7-trimethyl-2-bicyclo[2.2.1]hept-5-enyl]oxy]oxane?
The canonical SMILES for 2-[[(1S,2R,4R)-5-ethenyl-1,7,7-trimethyl-2-bicyclo[2.2.1]hept-5-enyl]oxy]oxane is C=CC1=C[C@]2(C)[C@H](OC3CCCCO3)C[C@H]1C2(C)C.
What is the InChIKey of 2-[[(1S,2R,4R)-5-ethenyl-1,7,7-trimethyl-2-bicyclo[2.2.1]hept-5-enyl]oxy]oxane?
The InChIKey is BJEIDQOZKFEKKJ-ZFKMNYQISA-N. The full InChI is InChI=1S/C17H26O2/c1-5-12-11-17(4)14(10-13(12)16(17,2)3)19-15-8-6-7-9-18-15/h5,11,13-15H,1,6-10H2,2-4H3/t13-,14-,15?,17-/m1/s1.
What are the key properties of 2-[[(1S,2R,4R)-5-ethenyl-1,7,7-trimethyl-2-bicyclo[2.2.1]hept-5-enyl]oxy]oxane?
2-[[(1S,2R,4R)-5-ethenyl-1,7,7-trimethyl-2-bicyclo[2.2.1]hept-5-enyl]oxy]oxane has a molecular weight of 262.39 g/mol, XLogP of 4.08, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(1S,2R,4R)-5-ethenyl-1,7,7-trimethyl-2-bicyclo[2.2.1]hept-5-enyl]oxy]oxane is sourced from PubChem (CID 11054490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).