(2R,3R,9S,10S,11S)-10-hydroxy-11-methyl-2,9-bis(prop-1-en-2-yl)-4,13-dioxatricyclo[9.2.1.13,6]pentadeca-1(14),6(15)-diene-5,12-dione

C20H24O5 — CID 10980852

IUPAC(2R,3R,9S,10S,11S)-10-hydroxy-11-methyl-2,9-bis(prop-1-en-2-yl)-4,13-dioxatricyclo[9.2.1.13,6]pentadeca-1(14),6(15)-diene-5,12-dione
SMILESC=C(C)[C@H]1C2=C[C@](C)(C(=O)O2)[C@@H](O)[C@H](C(=C)C)CCC2=C[C@H]1OC2=O
InChIInChI=1S/C20H24O5/c1-10(2)13-7-6-12-8-14(24-18(12)22)16(11(3)4)15-9-20(5,17(13)21)19(23)25-15/h8-9,13-14,16-17,21H,1,3,6-7H2,2,4-5H3/t13-,14+,16+,17-,20-/m0/s1
InChIKeyQFEYDWNEIMUBOK-YTRSDULBSA-N
MW344.41 g/mol
LogP2.82
Rot. Bonds2

About (2R,3R,9S,10S,11S)-10-hydroxy-11-methyl-2,9-bis(prop-1-en-2-yl)-4,13-dioxatricyclo[9.2.1.13,6]pentadeca-1(14),6(15)-diene-5,12-dione

(2R,3R,9S,10S,11S)-10-hydroxy-11-methyl-2,9-bis(prop-1-en-2-yl)-4,13-dioxatricyclo[9.2.1.13,6]pentadeca-1(14),6(15)-diene-5,12-dione (PubChem CID 10980852) has the molecular formula C20H24O5 and a molecular weight of 344.41 g/mol. Its IUPAC name is (2R,3R,9S,10S,11S)-10-hydroxy-11-methyl-2,9-bis(prop-1-en-2-yl)-4,13-dioxatricyclo[9.2.1.13,6]pentadeca-1(14),6(15)-diene-5,12-dione.

Molecular Properties

Compound Name(2R,3R,9S,10S,11S)-10-hydroxy-11-methyl-2,9-bis(prop-1-en-2-yl)-4,13-dioxatricyclo[9.2.1.13,6]pentadeca-1(14),6(15)-diene-5,12-dione
PubChem CID10980852
Molecular FormulaC20H24O5
Molecular Weight344.41 g/mol
Exact Mass344.16
IUPAC Name(2R,3R,9S,10S,11S)-10-hydroxy-11-methyl-2,9-bis(prop-1-en-2-yl)-4,13-dioxatricyclo[9.2.1.13,6]pentadeca-1(14),6(15)-diene-5,12-dione
SMILESC=C(C)[C@H]1C2=C[C@](C)(C(=O)O2)[C@@H](O)[C@H](C(=C)C)CCC2=C[C@H]1OC2=O
InChIInChI=1S/C20H24O5/c1-10(2)13-7-6-12-8-14(24-18(12)22)16(11(3)4)15-9-20(5,17(13)21)19(23)25-15/h8-9,13-14,16-17,21H,1,3,6-7H2,2,4-5H3/t13-,14+,16+,17-,20-/m0/s1
InChIKeyQFEYDWNEIMUBOK-YTRSDULBSA-N
XLogP2.82
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.41
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (2R,3R,9S,10S,11S)-10-hydroxy-11-methyl-2,9-bis(prop-1-en-2-yl)-4,13-dioxatricyclo[9.2.1.13,6]pentadeca-1(14),6(15)-diene-5,12-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2R,3R,9S,10S,11S)-10-hydroxy-11-methyl-2,9-bis(prop-1-en-2-yl)-4,13-dioxatricyclo[9.2.1.13,6]pentadeca-1(14),6(15)-diene-5,12-dione?
The IUPAC name of (2R,3R,9S,10S,11S)-10-hydroxy-11-methyl-2,9-bis(prop-1-en-2-yl)-4,13-dioxatricyclo[9.2.1.13,6]pentadeca-1(14),6(15)-diene-5,12-dione (CID 10980852) is (2R,3R,9S,10S,11S)-10-hydroxy-11-methyl-2,9-bis(prop-1-en-2-yl)-4,13-dioxatricyclo[9.2.1.13,6]pentadeca-1(14),6(15)-diene-5,12-dione.
What is the SMILES notation for (2R,3R,9S,10S,11S)-10-hydroxy-11-methyl-2,9-bis(prop-1-en-2-yl)-4,13-dioxatricyclo[9.2.1.13,6]pentadeca-1(14),6(15)-diene-5,12-dione?
The canonical SMILES for (2R,3R,9S,10S,11S)-10-hydroxy-11-methyl-2,9-bis(prop-1-en-2-yl)-4,13-dioxatricyclo[9.2.1.13,6]pentadeca-1(14),6(15)-diene-5,12-dione is C=C(C)[C@H]1C2=C[C@](C)(C(=O)O2)[C@@H](O)[C@H](C(=C)C)CCC2=C[C@H]1OC2=O.
What is the InChIKey of (2R,3R,9S,10S,11S)-10-hydroxy-11-methyl-2,9-bis(prop-1-en-2-yl)-4,13-dioxatricyclo[9.2.1.13,6]pentadeca-1(14),6(15)-diene-5,12-dione?
The InChIKey is QFEYDWNEIMUBOK-YTRSDULBSA-N. The full InChI is InChI=1S/C20H24O5/c1-10(2)13-7-6-12-8-14(24-18(12)22)16(11(3)4)15-9-20(5,17(13)21)19(23)25-15/h8-9,13-14,16-17,21H,1,3,6-7H2,2,4-5H3/t13-,14+,16+,17-,20-/m0/s1.
What are the key properties of (2R,3R,9S,10S,11S)-10-hydroxy-11-methyl-2,9-bis(prop-1-en-2-yl)-4,13-dioxatricyclo[9.2.1.13,6]pentadeca-1(14),6(15)-diene-5,12-dione?
(2R,3R,9S,10S,11S)-10-hydroxy-11-methyl-2,9-bis(prop-1-en-2-yl)-4,13-dioxatricyclo[9.2.1.13,6]pentadeca-1(14),6(15)-diene-5,12-dione has a molecular weight of 344.41 g/mol, XLogP of 2.82, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,9S,10S,11S)-10-hydroxy-11-methyl-2,9-bis(prop-1-en-2-yl)-4,13-dioxatricyclo[9.2.1.13,6]pentadeca-1(14),6(15)-diene-5,12-dione is sourced from PubChem (CID 10980852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).