(1R,7E,10R,16S)-1,8,12,12-tetramethyl-4-methylidene-11-oxatricyclo[8.5.1.013,16]hexadeca-7,13-diene

C20H30O — CID 171119629

IUPAC(1R,7E,10R,16S)-1,8,12,12-tetramethyl-4-methylidene-11-oxatricyclo[8.5.1.013,16]hexadeca-7,13-diene
SMILESC=C1CC/C=C(\C)C[C@H]2OC(C)(C)C3=CC[C@@](C)(CC1)[C@@H]32
InChIInChI=1S/C20H30O/c1-14-7-6-8-15(2)13-17-18-16(19(3,4)21-17)10-12-20(18,5)11-9-14/h8,10,17-18H,1,6-7,9,11-13H2,2-5H3/b15-8+/t17-,18+,20-/m1/s1
InChIKeyGWFUANKORWPORG-PLLMSKFTSA-N
MW286.46 g/mol
LogP5.58
Rot. Bonds

About (1R,7E,10R,16S)-1,8,12,12-tetramethyl-4-methylidene-11-oxatricyclo[8.5.1.013,16]hexadeca-7,13-diene

(1R,7E,10R,16S)-1,8,12,12-tetramethyl-4-methylidene-11-oxatricyclo[8.5.1.013,16]hexadeca-7,13-diene (PubChem CID 171119629) has the molecular formula C20H30O and a molecular weight of 286.46 g/mol. Its IUPAC name is (1R,7E,10R,16S)-1,8,12,12-tetramethyl-4-methylidene-11-oxatricyclo[8.5.1.013,16]hexadeca-7,13-diene.

Molecular Properties

Compound Name(1R,7E,10R,16S)-1,8,12,12-tetramethyl-4-methylidene-11-oxatricyclo[8.5.1.013,16]hexadeca-7,13-diene
PubChem CID171119629
Molecular FormulaC20H30O
Molecular Weight286.46 g/mol
Exact Mass286.23
IUPAC Name(1R,7E,10R,16S)-1,8,12,12-tetramethyl-4-methylidene-11-oxatricyclo[8.5.1.013,16]hexadeca-7,13-diene
SMILESC=C1CC/C=C(\C)C[C@H]2OC(C)(C)C3=CC[C@@](C)(CC1)[C@@H]32
InChIInChI=1S/C20H30O/c1-14-7-6-8-15(2)13-17-18-16(19(3,4)21-17)10-12-20(18,5)11-9-14/h8,10,17-18H,1,6-7,9,11-13H2,2-5H3/b15-8+/t17-,18+,20-/m1/s1
InChIKeyGWFUANKORWPORG-PLLMSKFTSA-N
XLogP5.58
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500286.46
LogP ≤ 55.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (1R,7E,10R,16S)-1,8,12,12-tetramethyl-4-methylidene-11-oxatricyclo[8.5.1.013,16]hexadeca-7,13-diene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (1R,7E,10R,16S)-1,8,12,12-tetramethyl-4-methylidene-11-oxatricyclo[8.5.1.013,16]hexadeca-7,13-diene?
The IUPAC name of (1R,7E,10R,16S)-1,8,12,12-tetramethyl-4-methylidene-11-oxatricyclo[8.5.1.013,16]hexadeca-7,13-diene (CID 171119629) is (1R,7E,10R,16S)-1,8,12,12-tetramethyl-4-methylidene-11-oxatricyclo[8.5.1.013,16]hexadeca-7,13-diene.
What is the SMILES notation for (1R,7E,10R,16S)-1,8,12,12-tetramethyl-4-methylidene-11-oxatricyclo[8.5.1.013,16]hexadeca-7,13-diene?
The canonical SMILES for (1R,7E,10R,16S)-1,8,12,12-tetramethyl-4-methylidene-11-oxatricyclo[8.5.1.013,16]hexadeca-7,13-diene is C=C1CC/C=C(\C)C[C@H]2OC(C)(C)C3=CC[C@@](C)(CC1)[C@@H]32.
What is the InChIKey of (1R,7E,10R,16S)-1,8,12,12-tetramethyl-4-methylidene-11-oxatricyclo[8.5.1.013,16]hexadeca-7,13-diene?
The InChIKey is GWFUANKORWPORG-PLLMSKFTSA-N. The full InChI is InChI=1S/C20H30O/c1-14-7-6-8-15(2)13-17-18-16(19(3,4)21-17)10-12-20(18,5)11-9-14/h8,10,17-18H,1,6-7,9,11-13H2,2-5H3/b15-8+/t17-,18+,20-/m1/s1.
What are the key properties of (1R,7E,10R,16S)-1,8,12,12-tetramethyl-4-methylidene-11-oxatricyclo[8.5.1.013,16]hexadeca-7,13-diene?
(1R,7E,10R,16S)-1,8,12,12-tetramethyl-4-methylidene-11-oxatricyclo[8.5.1.013,16]hexadeca-7,13-diene has a molecular weight of 286.46 g/mol, XLogP of 5.58, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,7E,10R,16S)-1,8,12,12-tetramethyl-4-methylidene-11-oxatricyclo[8.5.1.013,16]hexadeca-7,13-diene is sourced from PubChem (CID 171119629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).