(1R,3S,4S,8R,9Z)-6,6-dimethyl-5,7-dioxatricyclo[9.4.0.04,8]pentadeca-9,11-diene-1,3-diol

C15H22O4 — CID 101154488

IUPAC(1R,3S,4S,8R,9Z)-6,6-dimethyl-5,7-dioxatricyclo[9.4.0.04,8]pentadeca-9,11-diene-1,3-diol
SMILESCC1(C)O[C@H]2[C@@H](O)C[C@]3(O)CCCC=C3/C=C\[C@H]2O1
InChIInChI=1S/C15H22O4/c1-14(2)18-12-7-6-10-5-3-4-8-15(10,17)9-11(16)13(12)19-14/h5-7,11-13,16-17H,3-4,8-9H2,1-2H3/b7-6-/t11-,12+,13-,15+/m0/s1
InChIKeyYRQLQPHZKHHRBQ-FFHYNTOWSA-N
MW266.34 g/mol
LogP1.67
Rot. Bonds

About (1R,3S,4S,8R,9Z)-6,6-dimethyl-5,7-dioxatricyclo[9.4.0.04,8]pentadeca-9,11-diene-1,3-diol

(1R,3S,4S,8R,9Z)-6,6-dimethyl-5,7-dioxatricyclo[9.4.0.04,8]pentadeca-9,11-diene-1,3-diol (PubChem CID 101154488) has the molecular formula C15H22O4 and a molecular weight of 266.34 g/mol. Its IUPAC name is (1R,3S,4S,8R,9Z)-6,6-dimethyl-5,7-dioxatricyclo[9.4.0.04,8]pentadeca-9,11-diene-1,3-diol.

Molecular Properties

Compound Name(1R,3S,4S,8R,9Z)-6,6-dimethyl-5,7-dioxatricyclo[9.4.0.04,8]pentadeca-9,11-diene-1,3-diol
PubChem CID101154488
Molecular FormulaC15H22O4
Molecular Weight266.34 g/mol
Exact Mass266.15
IUPAC Name(1R,3S,4S,8R,9Z)-6,6-dimethyl-5,7-dioxatricyclo[9.4.0.04,8]pentadeca-9,11-diene-1,3-diol
SMILESCC1(C)O[C@H]2[C@@H](O)C[C@]3(O)CCCC=C3/C=C\[C@H]2O1
InChIInChI=1S/C15H22O4/c1-14(2)18-12-7-6-10-5-3-4-8-15(10,17)9-11(16)13(12)19-14/h5-7,11-13,16-17H,3-4,8-9H2,1-2H3/b7-6-/t11-,12+,13-,15+/m0/s1
InChIKeyYRQLQPHZKHHRBQ-FFHYNTOWSA-N
XLogP1.67
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (1R,3S,4S,8R,9Z)-6,6-dimethyl-5,7-dioxatricyclo[9.4.0.04,8]pentadeca-9,11-diene-1,3-diol 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,3S,4S,8R,9Z)-6,6-dimethyl-5,7-dioxatricyclo[9.4.0.04,8]pentadeca-9,11-diene-1,3-diol?
The IUPAC name of (1R,3S,4S,8R,9Z)-6,6-dimethyl-5,7-dioxatricyclo[9.4.0.04,8]pentadeca-9,11-diene-1,3-diol (CID 101154488) is (1R,3S,4S,8R,9Z)-6,6-dimethyl-5,7-dioxatricyclo[9.4.0.04,8]pentadeca-9,11-diene-1,3-diol.
What is the SMILES notation for (1R,3S,4S,8R,9Z)-6,6-dimethyl-5,7-dioxatricyclo[9.4.0.04,8]pentadeca-9,11-diene-1,3-diol?
The canonical SMILES for (1R,3S,4S,8R,9Z)-6,6-dimethyl-5,7-dioxatricyclo[9.4.0.04,8]pentadeca-9,11-diene-1,3-diol is CC1(C)O[C@H]2[C@@H](O)C[C@]3(O)CCCC=C3/C=C\[C@H]2O1.
What is the InChIKey of (1R,3S,4S,8R,9Z)-6,6-dimethyl-5,7-dioxatricyclo[9.4.0.04,8]pentadeca-9,11-diene-1,3-diol?
The InChIKey is YRQLQPHZKHHRBQ-FFHYNTOWSA-N. The full InChI is InChI=1S/C15H22O4/c1-14(2)18-12-7-6-10-5-3-4-8-15(10,17)9-11(16)13(12)19-14/h5-7,11-13,16-17H,3-4,8-9H2,1-2H3/b7-6-/t11-,12+,13-,15+/m0/s1.
What are the key properties of (1R,3S,4S,8R,9Z)-6,6-dimethyl-5,7-dioxatricyclo[9.4.0.04,8]pentadeca-9,11-diene-1,3-diol?
(1R,3S,4S,8R,9Z)-6,6-dimethyl-5,7-dioxatricyclo[9.4.0.04,8]pentadeca-9,11-diene-1,3-diol has a molecular weight of 266.34 g/mol, XLogP of 1.67, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,3S,4S,8R,9Z)-6,6-dimethyl-5,7-dioxatricyclo[9.4.0.04,8]pentadeca-9,11-diene-1,3-diol is sourced from PubChem (CID 101154488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).