(1S,2R,3S,6S,7S,10E,14S,15S)-2,6-dihydroxy-1,6,10,14-tetramethyl-4,18-dioxatricyclo[13.2.1.03,7]octadec-10-ene-5,8-dione

C20H30O6 — CID 162991568

IUPAC(1S,2R,3S,6S,7S,10E,14S,15S)-2,6-dihydroxy-1,6,10,14-tetramethyl-4,18-dioxatricyclo[13.2.1.03,7]octadec-10-ene-5,8-dione
SMILESC/C1=C\CC[C@H](C)[C@@H]2CC[C@](C)(O2)[C@H](O)[C@H]2OC(=O)[C@@](C)(O)[C@H]2C(=O)C1
InChIInChI=1S/C20H30O6/c1-11-6-5-7-12(2)14-8-9-19(3,26-14)17(22)16-15(13(21)10-11)20(4,24)18(23)25-16/h6,12,14-17,22,24H,5,7-10H2,1-4H3/b11-6+/t12-,14-,15-,16-,17+,19-,20-/m0/s1
InChIKeyXZOFNDHIXPGCJU-ALTBCAESSA-N
MW366.45 g/mol
LogP1.91
Rot. Bonds

About (1S,2R,3S,6S,7S,10E,14S,15S)-2,6-dihydroxy-1,6,10,14-tetramethyl-4,18-dioxatricyclo[13.2.1.03,7]octadec-10-ene-5,8-dione

(1S,2R,3S,6S,7S,10E,14S,15S)-2,6-dihydroxy-1,6,10,14-tetramethyl-4,18-dioxatricyclo[13.2.1.03,7]octadec-10-ene-5,8-dione (PubChem CID 162991568) has the molecular formula C20H30O6 and a molecular weight of 366.45 g/mol. Its IUPAC name is (1S,2R,3S,6S,7S,10E,14S,15S)-2,6-dihydroxy-1,6,10,14-tetramethyl-4,18-dioxatricyclo[13.2.1.03,7]octadec-10-ene-5,8-dione.

Molecular Properties

Compound Name(1S,2R,3S,6S,7S,10E,14S,15S)-2,6-dihydroxy-1,6,10,14-tetramethyl-4,18-dioxatricyclo[13.2.1.03,7]octadec-10-ene-5,8-dione
PubChem CID162991568
Molecular FormulaC20H30O6
Molecular Weight366.45 g/mol
Exact Mass366.20
IUPAC Name(1S,2R,3S,6S,7S,10E,14S,15S)-2,6-dihydroxy-1,6,10,14-tetramethyl-4,18-dioxatricyclo[13.2.1.03,7]octadec-10-ene-5,8-dione
SMILESC/C1=C\CC[C@H](C)[C@@H]2CC[C@](C)(O2)[C@H](O)[C@H]2OC(=O)[C@@](C)(O)[C@H]2C(=O)C1
InChIInChI=1S/C20H30O6/c1-11-6-5-7-12(2)14-8-9-19(3,26-14)17(22)16-15(13(21)10-11)20(4,24)18(23)25-16/h6,12,14-17,22,24H,5,7-10H2,1-4H3/b11-6+/t12-,14-,15-,16-,17+,19-,20-/m0/s1
InChIKeyXZOFNDHIXPGCJU-ALTBCAESSA-N
XLogP1.91
TPSA93.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.45
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze (1S,2R,3S,6S,7S,10E,14S,15S)-2,6-dihydroxy-1,6,10,14-tetramethyl-4,18-dioxatricyclo[13.2.1.03,7]octadec-10-ene-5,8-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of (1S,2R,3S,6S,7S,10E,14S,15S)-2,6-dihydroxy-1,6,10,14-tetramethyl-4,18-dioxatricyclo[13.2.1.03,7]octadec-10-ene-5,8-dione?
The IUPAC name of (1S,2R,3S,6S,7S,10E,14S,15S)-2,6-dihydroxy-1,6,10,14-tetramethyl-4,18-dioxatricyclo[13.2.1.03,7]octadec-10-ene-5,8-dione (CID 162991568) is (1S,2R,3S,6S,7S,10E,14S,15S)-2,6-dihydroxy-1,6,10,14-tetramethyl-4,18-dioxatricyclo[13.2.1.03,7]octadec-10-ene-5,8-dione.
What is the SMILES notation for (1S,2R,3S,6S,7S,10E,14S,15S)-2,6-dihydroxy-1,6,10,14-tetramethyl-4,18-dioxatricyclo[13.2.1.03,7]octadec-10-ene-5,8-dione?
The canonical SMILES for (1S,2R,3S,6S,7S,10E,14S,15S)-2,6-dihydroxy-1,6,10,14-tetramethyl-4,18-dioxatricyclo[13.2.1.03,7]octadec-10-ene-5,8-dione is C/C1=C\CC[C@H](C)[C@@H]2CC[C@](C)(O2)[C@H](O)[C@H]2OC(=O)[C@@](C)(O)[C@H]2C(=O)C1.
What is the InChIKey of (1S,2R,3S,6S,7S,10E,14S,15S)-2,6-dihydroxy-1,6,10,14-tetramethyl-4,18-dioxatricyclo[13.2.1.03,7]octadec-10-ene-5,8-dione?
The InChIKey is XZOFNDHIXPGCJU-ALTBCAESSA-N. The full InChI is InChI=1S/C20H30O6/c1-11-6-5-7-12(2)14-8-9-19(3,26-14)17(22)16-15(13(21)10-11)20(4,24)18(23)25-16/h6,12,14-17,22,24H,5,7-10H2,1-4H3/b11-6+/t12-,14-,15-,16-,17+,19-,20-/m0/s1.
What are the key properties of (1S,2R,3S,6S,7S,10E,14S,15S)-2,6-dihydroxy-1,6,10,14-tetramethyl-4,18-dioxatricyclo[13.2.1.03,7]octadec-10-ene-5,8-dione?
(1S,2R,3S,6S,7S,10E,14S,15S)-2,6-dihydroxy-1,6,10,14-tetramethyl-4,18-dioxatricyclo[13.2.1.03,7]octadec-10-ene-5,8-dione has a molecular weight of 366.45 g/mol, XLogP of 1.91, 0 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R,3S,6S,7S,10E,14S,15S)-2,6-dihydroxy-1,6,10,14-tetramethyl-4,18-dioxatricyclo[13.2.1.03,7]octadec-10-ene-5,8-dione is sourced from PubChem (CID 162991568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).