(1R,2R,6S,8S)-2,6-dimethyl-8-prop-1-en-2-yl-7-oxatricyclo[6.2.1.01,6]undec-4-ene

C15H22O — CID 6428358

IUPAC(1R,2R,6S,8S)-2,6-dimethyl-8-prop-1-en-2-yl-7-oxatricyclo[6.2.1.01,6]undec-4-ene
SMILESC=C(C)[C@]12CC[C@@]3(C1)[C@H](C)CC=C[C@]3(C)O2
InChIInChI=1S/C15H22O/c1-11(2)15-9-8-14(10-15)12(3)6-5-7-13(14,4)16-15/h5,7,12H,1,6,8-10H2,2-4H3/t12-,13+,14-,15+/m1/s1
InChIKeyRJDKCAMBNKUPIB-BARDWOONSA-N
MW218.34 g/mol
LogP3.86
Rot. Bonds1

About (1R,2R,6S,8S)-2,6-dimethyl-8-prop-1-en-2-yl-7-oxatricyclo[6.2.1.01,6]undec-4-ene

(1R,2R,6S,8S)-2,6-dimethyl-8-prop-1-en-2-yl-7-oxatricyclo[6.2.1.01,6]undec-4-ene (PubChem CID 6428358) has the molecular formula C15H22O and a molecular weight of 218.34 g/mol. Its IUPAC name is (1R,2R,6S,8S)-2,6-dimethyl-8-prop-1-en-2-yl-7-oxatricyclo[6.2.1.01,6]undec-4-ene.

Molecular Properties

Compound Name(1R,2R,6S,8S)-2,6-dimethyl-8-prop-1-en-2-yl-7-oxatricyclo[6.2.1.01,6]undec-4-ene
PubChem CID6428358
Molecular FormulaC15H22O
Molecular Weight218.34 g/mol
Exact Mass218.17
IUPAC Name(1R,2R,6S,8S)-2,6-dimethyl-8-prop-1-en-2-yl-7-oxatricyclo[6.2.1.01,6]undec-4-ene
SMILESC=C(C)[C@]12CC[C@@]3(C1)[C@H](C)CC=C[C@]3(C)O2
InChIInChI=1S/C15H22O/c1-11(2)15-9-8-14(10-15)12(3)6-5-7-13(14,4)16-15/h5,7,12H,1,6,8-10H2,2-4H3/t12-,13+,14-,15+/m1/s1
InChIKeyRJDKCAMBNKUPIB-BARDWOONSA-N
XLogP3.86
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1R,2R,6S,8S)-2,6-dimethyl-8-prop-1-en-2-yl-7-oxatricyclo[6.2.1.01,6]undec-4-ene?
The IUPAC name of (1R,2R,6S,8S)-2,6-dimethyl-8-prop-1-en-2-yl-7-oxatricyclo[6.2.1.01,6]undec-4-ene (CID 6428358) is (1R,2R,6S,8S)-2,6-dimethyl-8-prop-1-en-2-yl-7-oxatricyclo[6.2.1.01,6]undec-4-ene.
What is the SMILES notation for (1R,2R,6S,8S)-2,6-dimethyl-8-prop-1-en-2-yl-7-oxatricyclo[6.2.1.01,6]undec-4-ene?
The canonical SMILES for (1R,2R,6S,8S)-2,6-dimethyl-8-prop-1-en-2-yl-7-oxatricyclo[6.2.1.01,6]undec-4-ene is C=C(C)[C@]12CC[C@@]3(C1)[C@H](C)CC=C[C@]3(C)O2.
What is the InChIKey of (1R,2R,6S,8S)-2,6-dimethyl-8-prop-1-en-2-yl-7-oxatricyclo[6.2.1.01,6]undec-4-ene?
The InChIKey is RJDKCAMBNKUPIB-BARDWOONSA-N. The full InChI is InChI=1S/C15H22O/c1-11(2)15-9-8-14(10-15)12(3)6-5-7-13(14,4)16-15/h5,7,12H,1,6,8-10H2,2-4H3/t12-,13+,14-,15+/m1/s1.
What are the key properties of (1R,2R,6S,8S)-2,6-dimethyl-8-prop-1-en-2-yl-7-oxatricyclo[6.2.1.01,6]undec-4-ene?
(1R,2R,6S,8S)-2,6-dimethyl-8-prop-1-en-2-yl-7-oxatricyclo[6.2.1.01,6]undec-4-ene has a molecular weight of 218.34 g/mol, XLogP of 3.86, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,6S,8S)-2,6-dimethyl-8-prop-1-en-2-yl-7-oxatricyclo[6.2.1.01,6]undec-4-ene is sourced from PubChem (CID 6428358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).