(1R,4S,8S,9R,10S,12S,13R,15R,17R)-9,10-dihydroxy-3,14,14,17-tetramethyl-5,7-dioxapentacyclo[10.5.1.01,8.04,8.013,15]octadec-2-ene-6,18-dione

C20H26O6 — CID 134881802

IUPAC(1R,4S,8S,9R,10S,12S,13R,15R,17R)-9,10-dihydroxy-3,14,14,17-tetramethyl-5,7-dioxapentacyclo[10.5.1.01,8.04,8.013,15]octadec-2-ene-6,18-dione
SMILESCC1=C[C@@]23C(=O)[C@@H](C[C@H](O)[C@@H](O)[C@@]24OC(=O)O[C@@H]14)[C@H]1[C@@H](C[C@H]3C)C1(C)C
InChIInChI=1S/C20H26O6/c1-8-7-19-9(2)5-11-13(18(11,3)4)10(14(19)22)6-12(21)15(23)20(19)16(8)25-17(24)26-20/h7,9-13,15-16,21,23H,5-6H2,1-4H3/t9-,10+,11-,12+,13+,15-,16+,19-,20+/m1/s1
InChIKeyZBIYTIVHTYFSFF-FMLCZTGFSA-N
MW362.42 g/mol
LogP1.83
Rot. Bonds

About (1R,4S,8S,9R,10S,12S,13R,15R,17R)-9,10-dihydroxy-3,14,14,17-tetramethyl-5,7-dioxapentacyclo[10.5.1.01,8.04,8.013,15]octadec-2-ene-6,18-dione

(1R,4S,8S,9R,10S,12S,13R,15R,17R)-9,10-dihydroxy-3,14,14,17-tetramethyl-5,7-dioxapentacyclo[10.5.1.01,8.04,8.013,15]octadec-2-ene-6,18-dione (PubChem CID 134881802) has the molecular formula C20H26O6 and a molecular weight of 362.42 g/mol. Its IUPAC name is (1R,4S,8S,9R,10S,12S,13R,15R,17R)-9,10-dihydroxy-3,14,14,17-tetramethyl-5,7-dioxapentacyclo[10.5.1.01,8.04,8.013,15]octadec-2-ene-6,18-dione.

Molecular Properties

Compound Name(1R,4S,8S,9R,10S,12S,13R,15R,17R)-9,10-dihydroxy-3,14,14,17-tetramethyl-5,7-dioxapentacyclo[10.5.1.01,8.04,8.013,15]octadec-2-ene-6,18-dione
PubChem CID134881802
Molecular FormulaC20H26O6
Molecular Weight362.42 g/mol
Exact Mass362.17
IUPAC Name(1R,4S,8S,9R,10S,12S,13R,15R,17R)-9,10-dihydroxy-3,14,14,17-tetramethyl-5,7-dioxapentacyclo[10.5.1.01,8.04,8.013,15]octadec-2-ene-6,18-dione
SMILESCC1=C[C@@]23C(=O)[C@@H](C[C@H](O)[C@@H](O)[C@@]24OC(=O)O[C@@H]14)[C@H]1[C@@H](C[C@H]3C)C1(C)C
InChIInChI=1S/C20H26O6/c1-8-7-19-9(2)5-11-13(18(11,3)4)10(14(19)22)6-12(21)15(23)20(19)16(8)25-17(24)26-20/h7,9-13,15-16,21,23H,5-6H2,1-4H3/t9-,10+,11-,12+,13+,15-,16+,19-,20+/m1/s1
InChIKeyZBIYTIVHTYFSFF-FMLCZTGFSA-N
XLogP1.83
TPSA93.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.42
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze (1R,4S,8S,9R,10S,12S,13R,15R,17R)-9,10-dihydroxy-3,14,14,17-tetramethyl-5,7-dioxapentacyclo[10.5.1.01,8.04,8.013,15]octadec-2-ene-6,18-dione 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,4S,8S,9R,10S,12S,13R,15R,17R)-9,10-dihydroxy-3,14,14,17-tetramethyl-5,7-dioxapentacyclo[10.5.1.01,8.04,8.013,15]octadec-2-ene-6,18-dione?
The IUPAC name of (1R,4S,8S,9R,10S,12S,13R,15R,17R)-9,10-dihydroxy-3,14,14,17-tetramethyl-5,7-dioxapentacyclo[10.5.1.01,8.04,8.013,15]octadec-2-ene-6,18-dione (CID 134881802) is (1R,4S,8S,9R,10S,12S,13R,15R,17R)-9,10-dihydroxy-3,14,14,17-tetramethyl-5,7-dioxapentacyclo[10.5.1.01,8.04,8.013,15]octadec-2-ene-6,18-dione.
What is the SMILES notation for (1R,4S,8S,9R,10S,12S,13R,15R,17R)-9,10-dihydroxy-3,14,14,17-tetramethyl-5,7-dioxapentacyclo[10.5.1.01,8.04,8.013,15]octadec-2-ene-6,18-dione?
The canonical SMILES for (1R,4S,8S,9R,10S,12S,13R,15R,17R)-9,10-dihydroxy-3,14,14,17-tetramethyl-5,7-dioxapentacyclo[10.5.1.01,8.04,8.013,15]octadec-2-ene-6,18-dione is CC1=C[C@@]23C(=O)[C@@H](C[C@H](O)[C@@H](O)[C@@]24OC(=O)O[C@@H]14)[C@H]1[C@@H](C[C@H]3C)C1(C)C.
What is the InChIKey of (1R,4S,8S,9R,10S,12S,13R,15R,17R)-9,10-dihydroxy-3,14,14,17-tetramethyl-5,7-dioxapentacyclo[10.5.1.01,8.04,8.013,15]octadec-2-ene-6,18-dione?
The InChIKey is ZBIYTIVHTYFSFF-FMLCZTGFSA-N. The full InChI is InChI=1S/C20H26O6/c1-8-7-19-9(2)5-11-13(18(11,3)4)10(14(19)22)6-12(21)15(23)20(19)16(8)25-17(24)26-20/h7,9-13,15-16,21,23H,5-6H2,1-4H3/t9-,10+,11-,12+,13+,15-,16+,19-,20+/m1/s1.
What are the key properties of (1R,4S,8S,9R,10S,12S,13R,15R,17R)-9,10-dihydroxy-3,14,14,17-tetramethyl-5,7-dioxapentacyclo[10.5.1.01,8.04,8.013,15]octadec-2-ene-6,18-dione?
(1R,4S,8S,9R,10S,12S,13R,15R,17R)-9,10-dihydroxy-3,14,14,17-tetramethyl-5,7-dioxapentacyclo[10.5.1.01,8.04,8.013,15]octadec-2-ene-6,18-dione has a molecular weight of 362.42 g/mol, XLogP of 1.83, 0 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,4S,8S,9R,10S,12S,13R,15R,17R)-9,10-dihydroxy-3,14,14,17-tetramethyl-5,7-dioxapentacyclo[10.5.1.01,8.04,8.013,15]octadec-2-ene-6,18-dione is sourced from PubChem (CID 134881802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).