(1R,5S,8S)-7,7-dimethyl-6-methylidene-11-oxatricyclo[6.2.1.01,5]undec-9-ene

C13H18O — CID 10375272

IUPAC(1R,5S,8S)-7,7-dimethyl-6-methylidene-11-oxatricyclo[6.2.1.01,5]undec-9-ene
SMILESC=C1[C@@H]2CCC[C@@]23C=C[C@H](O3)C1(C)C
InChIInChI=1S/C13H18O/c1-9-10-5-4-7-13(10)8-6-11(14-13)12(9,2)3/h6,8,10-11H,1,4-5,7H2,2-3H3/t10-,11-,13+/m0/s1
InChIKeyQDLPAMWNKHEHOC-GMXVVIOVSA-N
MW190.29 g/mol
LogP3.08
Rot. Bonds

About (1R,5S,8S)-7,7-dimethyl-6-methylidene-11-oxatricyclo[6.2.1.01,5]undec-9-ene

(1R,5S,8S)-7,7-dimethyl-6-methylidene-11-oxatricyclo[6.2.1.01,5]undec-9-ene (PubChem CID 10375272) has the molecular formula C13H18O and a molecular weight of 190.29 g/mol. Its IUPAC name is (1R,5S,8S)-7,7-dimethyl-6-methylidene-11-oxatricyclo[6.2.1.01,5]undec-9-ene.

Molecular Properties

Compound Name(1R,5S,8S)-7,7-dimethyl-6-methylidene-11-oxatricyclo[6.2.1.01,5]undec-9-ene
PubChem CID10375272
Molecular FormulaC13H18O
Molecular Weight190.29 g/mol
Exact Mass190.14
IUPAC Name(1R,5S,8S)-7,7-dimethyl-6-methylidene-11-oxatricyclo[6.2.1.01,5]undec-9-ene
SMILESC=C1[C@@H]2CCC[C@@]23C=C[C@H](O3)C1(C)C
InChIInChI=1S/C13H18O/c1-9-10-5-4-7-13(10)8-6-11(14-13)12(9,2)3/h6,8,10-11H,1,4-5,7H2,2-3H3/t10-,11-,13+/m0/s1
InChIKeyQDLPAMWNKHEHOC-GMXVVIOVSA-N
XLogP3.08
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.29
LogP ≤ 53.08
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,5S,8S)-7,7-dimethyl-6-methylidene-11-oxatricyclo[6.2.1.01,5]undec-9-ene?
The IUPAC name of (1R,5S,8S)-7,7-dimethyl-6-methylidene-11-oxatricyclo[6.2.1.01,5]undec-9-ene (CID 10375272) is (1R,5S,8S)-7,7-dimethyl-6-methylidene-11-oxatricyclo[6.2.1.01,5]undec-9-ene.
What is the SMILES notation for (1R,5S,8S)-7,7-dimethyl-6-methylidene-11-oxatricyclo[6.2.1.01,5]undec-9-ene?
The canonical SMILES for (1R,5S,8S)-7,7-dimethyl-6-methylidene-11-oxatricyclo[6.2.1.01,5]undec-9-ene is C=C1[C@@H]2CCC[C@@]23C=C[C@H](O3)C1(C)C.
What is the InChIKey of (1R,5S,8S)-7,7-dimethyl-6-methylidene-11-oxatricyclo[6.2.1.01,5]undec-9-ene?
The InChIKey is QDLPAMWNKHEHOC-GMXVVIOVSA-N. The full InChI is InChI=1S/C13H18O/c1-9-10-5-4-7-13(10)8-6-11(14-13)12(9,2)3/h6,8,10-11H,1,4-5,7H2,2-3H3/t10-,11-,13+/m0/s1.
What are the key properties of (1R,5S,8S)-7,7-dimethyl-6-methylidene-11-oxatricyclo[6.2.1.01,5]undec-9-ene?
(1R,5S,8S)-7,7-dimethyl-6-methylidene-11-oxatricyclo[6.2.1.01,5]undec-9-ene has a molecular weight of 190.29 g/mol, XLogP of 3.08, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5S,8S)-7,7-dimethyl-6-methylidene-11-oxatricyclo[6.2.1.01,5]undec-9-ene is sourced from PubChem (CID 10375272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).