(1R,8R,10R,11S,14S)-10-(hydroxymethyl)-8,10-dimethyl-3,5-dioxatetracyclo[6.5.1.04,14.011,14]tetradecane-2,6-dione

C15H20O5 — CID 138965956

IUPAC(1R,8R,10R,11S,14S)-10-(hydroxymethyl)-8,10-dimethyl-3,5-dioxatetracyclo[6.5.1.04,14.011,14]tetradecane-2,6-dione
SMILESC[C@@]1(CO)C[C@]2(C)CC(=O)OC3OC(=O)[C@@H]4CC[C@@H]1[C@]342
InChIInChI=1S/C15H20O5/c1-13(7-16)6-14(2)5-10(17)19-12-15(14)8(11(18)20-12)3-4-9(13)15/h8-9,12,16H,3-7H2,1-2H3/t8-,9-,12?,13-,14-,15-/m0/s1
InChIKeyJDYIPAACNVDCTH-LMLKIEGASA-N
MW280.32 g/mol
LogP1.24
Rot. Bonds1

About (1R,8R,10R,11S,14S)-10-(hydroxymethyl)-8,10-dimethyl-3,5-dioxatetracyclo[6.5.1.04,14.011,14]tetradecane-2,6-dione

(1R,8R,10R,11S,14S)-10-(hydroxymethyl)-8,10-dimethyl-3,5-dioxatetracyclo[6.5.1.04,14.011,14]tetradecane-2,6-dione (PubChem CID 138965956) has the molecular formula C15H20O5 and a molecular weight of 280.32 g/mol. Its IUPAC name is (1R,8R,10R,11S,14S)-10-(hydroxymethyl)-8,10-dimethyl-3,5-dioxatetracyclo[6.5.1.04,14.011,14]tetradecane-2,6-dione.

Molecular Properties

Compound Name(1R,8R,10R,11S,14S)-10-(hydroxymethyl)-8,10-dimethyl-3,5-dioxatetracyclo[6.5.1.04,14.011,14]tetradecane-2,6-dione
PubChem CID138965956
Molecular FormulaC15H20O5
Molecular Weight280.32 g/mol
Exact Mass280.13
IUPAC Name(1R,8R,10R,11S,14S)-10-(hydroxymethyl)-8,10-dimethyl-3,5-dioxatetracyclo[6.5.1.04,14.011,14]tetradecane-2,6-dione
SMILESC[C@@]1(CO)C[C@]2(C)CC(=O)OC3OC(=O)[C@@H]4CC[C@@H]1[C@]342
InChIInChI=1S/C15H20O5/c1-13(7-16)6-14(2)5-10(17)19-12-15(14)8(11(18)20-12)3-4-9(13)15/h8-9,12,16H,3-7H2,1-2H3/t8-,9-,12?,13-,14-,15-/m0/s1
InChIKeyJDYIPAACNVDCTH-LMLKIEGASA-N
XLogP1.24
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (1R,8R,10R,11S,14S)-10-(hydroxymethyl)-8,10-dimethyl-3,5-dioxatetracyclo[6.5.1.04,14.011,14]tetradecane-2,6-dione with MolForge

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Related Compounds

(1S,4S,11S,13S,14S)-13-hydroxy-8,10,10-trimethyl-3,5-dioxatetracyclo[6.5.1.04,14.011,14]tetradecane-2,6-dione
CID 101429183
1-hydroxy-8,10,10-trimethyl-3,5-dioxatetracyclo[6.5.1.04,14.011,14]tetradecane-2,6-dione
CID 73172463
(5R)-4-hydroxy-5-(hydroxymethyl)-4-methyloxolan-2-one
CID 45103169
ethane;5-(hydroxymethyl)oxolan-2-one
CID 142985862
(6-ethenyl-2,2-dimethyl-1,3-dioxan-4-yl)methanol
CID 15923819
5-(hydroxymethyl)-3,3-dimethyloxolan-2-one
CID 574735
5-(hydroxymethyl)oxolan-2-one
CID 158931038
9-hydroxy-7,11-dioxo-2,5-dipentyl-1,6-dioxacycloundecane-9-carboxylic acid
CID 175101146
(1S,4S,9R,12S,13R,16R,17R)-17-hydroxy-17-(hydroxymethyl)-12-methyl-8-oxapentacyclo[14.2.1.01,13.04,12.05,9]nonadec-5-en-7-one
CID 11595156
[9-(hydroxymethyl)-5,9,13-trimethyl-22-oxo-21,24-dioxahexacyclo[16.5.1.01,20.04,17.05,14.08,13]tetracosan-2-yl] acetate
CID 163107474
(4S,5S)-4-cyclopropyl-5-hydroxy-4-methyloxolan-2-one
CID 131041836
2-hydroxy-5-(hydroxymethyl)-5,9-dimethyltetracyclo[11.2.1.01,10.04,9]hexadecan-14-one
CID 162846451

Frequently Asked Questions

What is the IUPAC name of (1R,8R,10R,11S,14S)-10-(hydroxymethyl)-8,10-dimethyl-3,5-dioxatetracyclo[6.5.1.04,14.011,14]tetradecane-2,6-dione?
The IUPAC name of (1R,8R,10R,11S,14S)-10-(hydroxymethyl)-8,10-dimethyl-3,5-dioxatetracyclo[6.5.1.04,14.011,14]tetradecane-2,6-dione (CID 138965956) is (1R,8R,10R,11S,14S)-10-(hydroxymethyl)-8,10-dimethyl-3,5-dioxatetracyclo[6.5.1.04,14.011,14]tetradecane-2,6-dione.
What is the SMILES notation for (1R,8R,10R,11S,14S)-10-(hydroxymethyl)-8,10-dimethyl-3,5-dioxatetracyclo[6.5.1.04,14.011,14]tetradecane-2,6-dione?
The canonical SMILES for (1R,8R,10R,11S,14S)-10-(hydroxymethyl)-8,10-dimethyl-3,5-dioxatetracyclo[6.5.1.04,14.011,14]tetradecane-2,6-dione is C[C@@]1(CO)C[C@]2(C)CC(=O)OC3OC(=O)[C@@H]4CC[C@@H]1[C@]342.
What is the InChIKey of (1R,8R,10R,11S,14S)-10-(hydroxymethyl)-8,10-dimethyl-3,5-dioxatetracyclo[6.5.1.04,14.011,14]tetradecane-2,6-dione?
The InChIKey is JDYIPAACNVDCTH-LMLKIEGASA-N. The full InChI is InChI=1S/C15H20O5/c1-13(7-16)6-14(2)5-10(17)19-12-15(14)8(11(18)20-12)3-4-9(13)15/h8-9,12,16H,3-7H2,1-2H3/t8-,9-,12?,13-,14-,15-/m0/s1.
What are the key properties of (1R,8R,10R,11S,14S)-10-(hydroxymethyl)-8,10-dimethyl-3,5-dioxatetracyclo[6.5.1.04,14.011,14]tetradecane-2,6-dione?
(1R,8R,10R,11S,14S)-10-(hydroxymethyl)-8,10-dimethyl-3,5-dioxatetracyclo[6.5.1.04,14.011,14]tetradecane-2,6-dione has a molecular weight of 280.32 g/mol, XLogP of 1.24, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,8R,10R,11S,14S)-10-(hydroxymethyl)-8,10-dimethyl-3,5-dioxatetracyclo[6.5.1.04,14.011,14]tetradecane-2,6-dione is sourced from PubChem (CID 138965956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).