(1R,6R,10R,11R)-10-hydroxy-6-methyl-8,12-dioxatetracyclo[9.3.1.01,5.06,10]pentadec-4-ene-9,13-dione

C14H16O5 — CID 54590132

IUPAC(1R,6R,10R,11R)-10-hydroxy-6-methyl-8,12-dioxatetracyclo[9.3.1.01,5.06,10]pentadec-4-ene-9,13-dione
SMILESC[C@@]12COC(=O)[C@]1(O)[C@H]1C[C@]3(CCC=C32)CC(=O)O1
InChIInChI=1S/C14H16O5/c1-12-7-18-11(16)14(12,17)9-5-13(6-10(15)19-9)4-2-3-8(12)13/h3,9,17H,2,4-7H2,1H3/t9-,12+,13-,14-/m1/s1
InChIKeyHNOMDAMETOTMOF-GJQVQUKXSA-N
MW264.28 g/mol
LogP0.71
Rot. Bonds

About (1R,6R,10R,11R)-10-hydroxy-6-methyl-8,12-dioxatetracyclo[9.3.1.01,5.06,10]pentadec-4-ene-9,13-dione

(1R,6R,10R,11R)-10-hydroxy-6-methyl-8,12-dioxatetracyclo[9.3.1.01,5.06,10]pentadec-4-ene-9,13-dione (PubChem CID 54590132) has the molecular formula C14H16O5 and a molecular weight of 264.28 g/mol. Its IUPAC name is (1R,6R,10R,11R)-10-hydroxy-6-methyl-8,12-dioxatetracyclo[9.3.1.01,5.06,10]pentadec-4-ene-9,13-dione.

Molecular Properties

Compound Name(1R,6R,10R,11R)-10-hydroxy-6-methyl-8,12-dioxatetracyclo[9.3.1.01,5.06,10]pentadec-4-ene-9,13-dione
PubChem CID54590132
Molecular FormulaC14H16O5
Molecular Weight264.28 g/mol
Exact Mass264.10
IUPAC Name(1R,6R,10R,11R)-10-hydroxy-6-methyl-8,12-dioxatetracyclo[9.3.1.01,5.06,10]pentadec-4-ene-9,13-dione
SMILESC[C@@]12COC(=O)[C@]1(O)[C@H]1C[C@]3(CCC=C32)CC(=O)O1
InChIInChI=1S/C14H16O5/c1-12-7-18-11(16)14(12,17)9-5-13(6-10(15)19-9)4-2-3-8(12)13/h3,9,17H,2,4-7H2,1H3/t9-,12+,13-,14-/m1/s1
InChIKeyHNOMDAMETOTMOF-GJQVQUKXSA-N
XLogP0.71
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1R,6R,10R,11R)-10-hydroxy-6-methyl-8,12-dioxatetracyclo[9.3.1.01,5.06,10]pentadec-4-ene-9,13-dione?
The IUPAC name of (1R,6R,10R,11R)-10-hydroxy-6-methyl-8,12-dioxatetracyclo[9.3.1.01,5.06,10]pentadec-4-ene-9,13-dione (CID 54590132) is (1R,6R,10R,11R)-10-hydroxy-6-methyl-8,12-dioxatetracyclo[9.3.1.01,5.06,10]pentadec-4-ene-9,13-dione.
What is the SMILES notation for (1R,6R,10R,11R)-10-hydroxy-6-methyl-8,12-dioxatetracyclo[9.3.1.01,5.06,10]pentadec-4-ene-9,13-dione?
The canonical SMILES for (1R,6R,10R,11R)-10-hydroxy-6-methyl-8,12-dioxatetracyclo[9.3.1.01,5.06,10]pentadec-4-ene-9,13-dione is C[C@@]12COC(=O)[C@]1(O)[C@H]1C[C@]3(CCC=C32)CC(=O)O1.
What is the InChIKey of (1R,6R,10R,11R)-10-hydroxy-6-methyl-8,12-dioxatetracyclo[9.3.1.01,5.06,10]pentadec-4-ene-9,13-dione?
The InChIKey is HNOMDAMETOTMOF-GJQVQUKXSA-N. The full InChI is InChI=1S/C14H16O5/c1-12-7-18-11(16)14(12,17)9-5-13(6-10(15)19-9)4-2-3-8(12)13/h3,9,17H,2,4-7H2,1H3/t9-,12+,13-,14-/m1/s1.
What are the key properties of (1R,6R,10R,11R)-10-hydroxy-6-methyl-8,12-dioxatetracyclo[9.3.1.01,5.06,10]pentadec-4-ene-9,13-dione?
(1R,6R,10R,11R)-10-hydroxy-6-methyl-8,12-dioxatetracyclo[9.3.1.01,5.06,10]pentadec-4-ene-9,13-dione has a molecular weight of 264.28 g/mol, XLogP of 0.71, 0 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,6R,10R,11R)-10-hydroxy-6-methyl-8,12-dioxatetracyclo[9.3.1.01,5.06,10]pentadec-4-ene-9,13-dione is sourced from PubChem (CID 54590132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).