(2Z,5S,11S,12S)-1-hydroxy-3,14-dimethyl-11-prop-1-en-2-yl-6,16-dioxatricyclo[10.3.1.15,8]heptadeca-2,8(17),14-triene-7,13-dione

C20H24O5 — CID 134840437

IUPAC(2Z,5S,11S,12S)-1-hydroxy-3,14-dimethyl-11-prop-1-en-2-yl-6,16-dioxatricyclo[10.3.1.15,8]heptadeca-2,8(17),14-triene-7,13-dione
SMILESC=C(C)[C@@H]1CCC2=C[C@H](C/C(C)=C\C3(O)C=C(C)C(=O)[C@H]1O3)OC2=O
InChIInChI=1S/C20H24O5/c1-11(2)16-6-5-14-8-15(24-19(14)22)7-12(3)9-20(23)10-13(4)17(21)18(16)25-20/h8-10,15-16,18,23H,1,5-7H2,2-4H3/b12-9-/t15-,16-,18-,20?/m0/s1
InChIKeyLDKFUDWSGVEQCV-ZZTLXGLGSA-N
MW344.41 g/mol
LogP2.76
Rot. Bonds1

About (2Z,5S,11S,12S)-1-hydroxy-3,14-dimethyl-11-prop-1-en-2-yl-6,16-dioxatricyclo[10.3.1.15,8]heptadeca-2,8(17),14-triene-7,13-dione

(2Z,5S,11S,12S)-1-hydroxy-3,14-dimethyl-11-prop-1-en-2-yl-6,16-dioxatricyclo[10.3.1.15,8]heptadeca-2,8(17),14-triene-7,13-dione (PubChem CID 134840437) has the molecular formula C20H24O5 and a molecular weight of 344.41 g/mol. Its IUPAC name is (2Z,5S,11S,12S)-1-hydroxy-3,14-dimethyl-11-prop-1-en-2-yl-6,16-dioxatricyclo[10.3.1.15,8]heptadeca-2,8(17),14-triene-7,13-dione.

Molecular Properties

Compound Name(2Z,5S,11S,12S)-1-hydroxy-3,14-dimethyl-11-prop-1-en-2-yl-6,16-dioxatricyclo[10.3.1.15,8]heptadeca-2,8(17),14-triene-7,13-dione
PubChem CID134840437
Molecular FormulaC20H24O5
Molecular Weight344.41 g/mol
Exact Mass344.16
IUPAC Name(2Z,5S,11S,12S)-1-hydroxy-3,14-dimethyl-11-prop-1-en-2-yl-6,16-dioxatricyclo[10.3.1.15,8]heptadeca-2,8(17),14-triene-7,13-dione
SMILESC=C(C)[C@@H]1CCC2=C[C@H](C/C(C)=C\C3(O)C=C(C)C(=O)[C@H]1O3)OC2=O
InChIInChI=1S/C20H24O5/c1-11(2)16-6-5-14-8-15(24-19(14)22)7-12(3)9-20(23)10-13(4)17(21)18(16)25-20/h8-10,15-16,18,23H,1,5-7H2,2-4H3/b12-9-/t15-,16-,18-,20?/m0/s1
InChIKeyLDKFUDWSGVEQCV-ZZTLXGLGSA-N
XLogP2.76
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.41
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (2Z,5S,11S,12S)-1-hydroxy-3,14-dimethyl-11-prop-1-en-2-yl-6,16-dioxatricyclo[10.3.1.15,8]heptadeca-2,8(17),14-triene-7,13-dione with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of (2Z,5S,11S,12S)-1-hydroxy-3,14-dimethyl-11-prop-1-en-2-yl-6,16-dioxatricyclo[10.3.1.15,8]heptadeca-2,8(17),14-triene-7,13-dione?
The IUPAC name of (2Z,5S,11S,12S)-1-hydroxy-3,14-dimethyl-11-prop-1-en-2-yl-6,16-dioxatricyclo[10.3.1.15,8]heptadeca-2,8(17),14-triene-7,13-dione (CID 134840437) is (2Z,5S,11S,12S)-1-hydroxy-3,14-dimethyl-11-prop-1-en-2-yl-6,16-dioxatricyclo[10.3.1.15,8]heptadeca-2,8(17),14-triene-7,13-dione.
What is the SMILES notation for (2Z,5S,11S,12S)-1-hydroxy-3,14-dimethyl-11-prop-1-en-2-yl-6,16-dioxatricyclo[10.3.1.15,8]heptadeca-2,8(17),14-triene-7,13-dione?
The canonical SMILES for (2Z,5S,11S,12S)-1-hydroxy-3,14-dimethyl-11-prop-1-en-2-yl-6,16-dioxatricyclo[10.3.1.15,8]heptadeca-2,8(17),14-triene-7,13-dione is C=C(C)[C@@H]1CCC2=C[C@H](C/C(C)=C\C3(O)C=C(C)C(=O)[C@H]1O3)OC2=O.
What is the InChIKey of (2Z,5S,11S,12S)-1-hydroxy-3,14-dimethyl-11-prop-1-en-2-yl-6,16-dioxatricyclo[10.3.1.15,8]heptadeca-2,8(17),14-triene-7,13-dione?
The InChIKey is LDKFUDWSGVEQCV-ZZTLXGLGSA-N. The full InChI is InChI=1S/C20H24O5/c1-11(2)16-6-5-14-8-15(24-19(14)22)7-12(3)9-20(23)10-13(4)17(21)18(16)25-20/h8-10,15-16,18,23H,1,5-7H2,2-4H3/b12-9-/t15-,16-,18-,20?/m0/s1.
What are the key properties of (2Z,5S,11S,12S)-1-hydroxy-3,14-dimethyl-11-prop-1-en-2-yl-6,16-dioxatricyclo[10.3.1.15,8]heptadeca-2,8(17),14-triene-7,13-dione?
(2Z,5S,11S,12S)-1-hydroxy-3,14-dimethyl-11-prop-1-en-2-yl-6,16-dioxatricyclo[10.3.1.15,8]heptadeca-2,8(17),14-triene-7,13-dione has a molecular weight of 344.41 g/mol, XLogP of 2.76, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,5S,11S,12S)-1-hydroxy-3,14-dimethyl-11-prop-1-en-2-yl-6,16-dioxatricyclo[10.3.1.15,8]heptadeca-2,8(17),14-triene-7,13-dione is sourced from PubChem (CID 134840437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).