(1S,2R,9S,10E,14S,15R)-2,6,11,15-tetramethyl-8,18-dioxatricyclo[12.3.1.05,9]octadeca-5,10-diene-2,15-diol

C20H32O4 — CID 162867301

IUPAC(1S,2R,9S,10E,14S,15R)-2,6,11,15-tetramethyl-8,18-dioxatricyclo[12.3.1.05,9]octadeca-5,10-diene-2,15-diol
SMILESCC1=C2CC[C@@](C)(O)[C@@H]3CC[C@@](C)(O)[C@H](CC/C(C)=C/[C@@H]2OC1)O3
InChIInChI=1S/C20H32O4/c1-13-5-6-17-20(4,22)10-8-18(24-17)19(3,21)9-7-15-14(2)12-23-16(15)11-13/h11,16-18,21-22H,5-10,12H2,1-4H3/b13-11+/t16-,17-,18-,19+,20+/m0/s1
InChIKeyVUVMCACERNBHPG-LZAZQNSHSA-N
MW336.47 g/mol
LogP3.27
Rot. Bonds

About (1S,2R,9S,10E,14S,15R)-2,6,11,15-tetramethyl-8,18-dioxatricyclo[12.3.1.05,9]octadeca-5,10-diene-2,15-diol

(1S,2R,9S,10E,14S,15R)-2,6,11,15-tetramethyl-8,18-dioxatricyclo[12.3.1.05,9]octadeca-5,10-diene-2,15-diol (PubChem CID 162867301) has the molecular formula C20H32O4 and a molecular weight of 336.47 g/mol. Its IUPAC name is (1S,2R,9S,10E,14S,15R)-2,6,11,15-tetramethyl-8,18-dioxatricyclo[12.3.1.05,9]octadeca-5,10-diene-2,15-diol.

Molecular Properties

Compound Name(1S,2R,9S,10E,14S,15R)-2,6,11,15-tetramethyl-8,18-dioxatricyclo[12.3.1.05,9]octadeca-5,10-diene-2,15-diol
PubChem CID162867301
Molecular FormulaC20H32O4
Molecular Weight336.47 g/mol
Exact Mass336.23
IUPAC Name(1S,2R,9S,10E,14S,15R)-2,6,11,15-tetramethyl-8,18-dioxatricyclo[12.3.1.05,9]octadeca-5,10-diene-2,15-diol
SMILESCC1=C2CC[C@@](C)(O)[C@@H]3CC[C@@](C)(O)[C@H](CC/C(C)=C/[C@@H]2OC1)O3
InChIInChI=1S/C20H32O4/c1-13-5-6-17-20(4,22)10-8-18(24-17)19(3,21)9-7-15-14(2)12-23-16(15)11-13/h11,16-18,21-22H,5-10,12H2,1-4H3/b13-11+/t16-,17-,18-,19+,20+/m0/s1
InChIKeyVUVMCACERNBHPG-LZAZQNSHSA-N
XLogP3.27
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.47
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (1S,2R,9S,10E,14S,15R)-2,6,11,15-tetramethyl-8,18-dioxatricyclo[12.3.1.05,9]octadeca-5,10-diene-2,15-diol with MolForge

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Frequently Asked Questions

What is the IUPAC name of (1S,2R,9S,10E,14S,15R)-2,6,11,15-tetramethyl-8,18-dioxatricyclo[12.3.1.05,9]octadeca-5,10-diene-2,15-diol?
The IUPAC name of (1S,2R,9S,10E,14S,15R)-2,6,11,15-tetramethyl-8,18-dioxatricyclo[12.3.1.05,9]octadeca-5,10-diene-2,15-diol (CID 162867301) is (1S,2R,9S,10E,14S,15R)-2,6,11,15-tetramethyl-8,18-dioxatricyclo[12.3.1.05,9]octadeca-5,10-diene-2,15-diol.
What is the SMILES notation for (1S,2R,9S,10E,14S,15R)-2,6,11,15-tetramethyl-8,18-dioxatricyclo[12.3.1.05,9]octadeca-5,10-diene-2,15-diol?
The canonical SMILES for (1S,2R,9S,10E,14S,15R)-2,6,11,15-tetramethyl-8,18-dioxatricyclo[12.3.1.05,9]octadeca-5,10-diene-2,15-diol is CC1=C2CC[C@@](C)(O)[C@@H]3CC[C@@](C)(O)[C@H](CC/C(C)=C/[C@@H]2OC1)O3.
What is the InChIKey of (1S,2R,9S,10E,14S,15R)-2,6,11,15-tetramethyl-8,18-dioxatricyclo[12.3.1.05,9]octadeca-5,10-diene-2,15-diol?
The InChIKey is VUVMCACERNBHPG-LZAZQNSHSA-N. The full InChI is InChI=1S/C20H32O4/c1-13-5-6-17-20(4,22)10-8-18(24-17)19(3,21)9-7-15-14(2)12-23-16(15)11-13/h11,16-18,21-22H,5-10,12H2,1-4H3/b13-11+/t16-,17-,18-,19+,20+/m0/s1.
What are the key properties of (1S,2R,9S,10E,14S,15R)-2,6,11,15-tetramethyl-8,18-dioxatricyclo[12.3.1.05,9]octadeca-5,10-diene-2,15-diol?
(1S,2R,9S,10E,14S,15R)-2,6,11,15-tetramethyl-8,18-dioxatricyclo[12.3.1.05,9]octadeca-5,10-diene-2,15-diol has a molecular weight of 336.47 g/mol, XLogP of 3.27, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R,9S,10E,14S,15R)-2,6,11,15-tetramethyl-8,18-dioxatricyclo[12.3.1.05,9]octadeca-5,10-diene-2,15-diol is sourced from PubChem (CID 162867301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).