(1R,7E,10R,13R,16R)-1,8,12,12-tetramethyl-4-methylidene-11-oxatricyclo[8.5.1.013,16]hexadec-7-en-13-ol

C20H32O2 — CID 171119627

IUPAC(1R,7E,10R,13R,16R)-1,8,12,12-tetramethyl-4-methylidene-11-oxatricyclo[8.5.1.013,16]hexadec-7-en-13-ol
SMILESC=C1CC/C=C(\C)C[C@H]2OC(C)(C)[C@@]3(O)CC[C@@](C)(CC1)[C@H]23
InChIInChI=1S/C20H32O2/c1-14-7-6-8-15(2)13-16-17-19(5,10-9-14)11-12-20(17,21)18(3,4)22-16/h8,16-17,21H,1,6-7,9-13H2,2-5H3/b15-8+/t16-,17+,19-,20-/m1/s1
InChIKeyWFVXDIDSVCIQEU-DMWGLHFQSA-N
MW304.47 g/mol
LogP4.78
Rot. Bonds

About (1R,7E,10R,13R,16R)-1,8,12,12-tetramethyl-4-methylidene-11-oxatricyclo[8.5.1.013,16]hexadec-7-en-13-ol

(1R,7E,10R,13R,16R)-1,8,12,12-tetramethyl-4-methylidene-11-oxatricyclo[8.5.1.013,16]hexadec-7-en-13-ol (PubChem CID 171119627) has the molecular formula C20H32O2 and a molecular weight of 304.47 g/mol. Its IUPAC name is (1R,7E,10R,13R,16R)-1,8,12,12-tetramethyl-4-methylidene-11-oxatricyclo[8.5.1.013,16]hexadec-7-en-13-ol.

Molecular Properties

Compound Name(1R,7E,10R,13R,16R)-1,8,12,12-tetramethyl-4-methylidene-11-oxatricyclo[8.5.1.013,16]hexadec-7-en-13-ol
PubChem CID171119627
Molecular FormulaC20H32O2
Molecular Weight304.47 g/mol
Exact Mass304.24
IUPAC Name(1R,7E,10R,13R,16R)-1,8,12,12-tetramethyl-4-methylidene-11-oxatricyclo[8.5.1.013,16]hexadec-7-en-13-ol
SMILESC=C1CC/C=C(\C)C[C@H]2OC(C)(C)[C@@]3(O)CC[C@@](C)(CC1)[C@H]23
InChIInChI=1S/C20H32O2/c1-14-7-6-8-15(2)13-16-17-19(5,10-9-14)11-12-20(17,21)18(3,4)22-16/h8,16-17,21H,1,6-7,9-13H2,2-5H3/b15-8+/t16-,17+,19-,20-/m1/s1
InChIKeyWFVXDIDSVCIQEU-DMWGLHFQSA-N
XLogP4.78
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.47
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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

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Related Compounds

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(1S,3S,4S,6S,7R,8R,12S)-12-(1,3-dihydroxypropan-2-yl)-4-ethyl-1,8-dimethyltricyclo[9.3.0.03,7]tetradec-10-ene-6,8-diol
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CID 163191131
(1R,4R,7S,10S)-1,4,8-trimethyl-2-oxatricyclo[5.2.1.04,10]dec-8-en-10-ol
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CID 172013146
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CID 10609075
(2R,3R,3aR,6aR)-3-[(5R)-1-hydroxy-5,9-dimethyldeca-1,8-dienyl]-5-[2-(2-hydroxyethoxy)ethyl]-1,2,3,3a,4,6a-hexahydropentalen-2-ol
CID 67770073
(2R,3R,3aR,6aR)-3-(1-hydroxy-4,4-dimethylnona-1,8-dienyl)-5-(5-hydroxypentyl)-1,2,3,3a,4,6a-hexahydropentalen-2-ol
CID 67770147
(1R,2R,3aR,6aS)-5-[2-(2-hydroxyethoxy)ethyl]-1-(1-hydroxy-8-methoxyoct-1-enyl)-1,2,3,3a,4,6a-hexahydropentalen-2-ol
CID 67770183

Frequently Asked Questions

What is the IUPAC name of (1R,7E,10R,13R,16R)-1,8,12,12-tetramethyl-4-methylidene-11-oxatricyclo[8.5.1.013,16]hexadec-7-en-13-ol?
The IUPAC name of (1R,7E,10R,13R,16R)-1,8,12,12-tetramethyl-4-methylidene-11-oxatricyclo[8.5.1.013,16]hexadec-7-en-13-ol (CID 171119627) is (1R,7E,10R,13R,16R)-1,8,12,12-tetramethyl-4-methylidene-11-oxatricyclo[8.5.1.013,16]hexadec-7-en-13-ol.
What is the SMILES notation for (1R,7E,10R,13R,16R)-1,8,12,12-tetramethyl-4-methylidene-11-oxatricyclo[8.5.1.013,16]hexadec-7-en-13-ol?
The canonical SMILES for (1R,7E,10R,13R,16R)-1,8,12,12-tetramethyl-4-methylidene-11-oxatricyclo[8.5.1.013,16]hexadec-7-en-13-ol is C=C1CC/C=C(\C)C[C@H]2OC(C)(C)[C@@]3(O)CC[C@@](C)(CC1)[C@H]23.
What is the InChIKey of (1R,7E,10R,13R,16R)-1,8,12,12-tetramethyl-4-methylidene-11-oxatricyclo[8.5.1.013,16]hexadec-7-en-13-ol?
The InChIKey is WFVXDIDSVCIQEU-DMWGLHFQSA-N. The full InChI is InChI=1S/C20H32O2/c1-14-7-6-8-15(2)13-16-17-19(5,10-9-14)11-12-20(17,21)18(3,4)22-16/h8,16-17,21H,1,6-7,9-13H2,2-5H3/b15-8+/t16-,17+,19-,20-/m1/s1.
What are the key properties of (1R,7E,10R,13R,16R)-1,8,12,12-tetramethyl-4-methylidene-11-oxatricyclo[8.5.1.013,16]hexadec-7-en-13-ol?
(1R,7E,10R,13R,16R)-1,8,12,12-tetramethyl-4-methylidene-11-oxatricyclo[8.5.1.013,16]hexadec-7-en-13-ol has a molecular weight of 304.47 g/mol, XLogP of 4.78, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,7E,10R,13R,16R)-1,8,12,12-tetramethyl-4-methylidene-11-oxatricyclo[8.5.1.013,16]hexadec-7-en-13-ol is sourced from PubChem (CID 171119627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).