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

C15H20O5 — CID 73172459

IUPAC10-(hydroxymethyl)-8,10-dimethyl-3,5-dioxatetracyclo[6.5.1.04,14.011,14]tetradecane-2,6-dione
SMILESCC1(CO)CC2(C)CC(=O)OC3OC(=O)C4CCC1C342
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
InChIKeyJDYIPAACNVDCTH-UHFFFAOYSA-N
MW280.32 g/mol
LogP1.24
Rot. Bonds1

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

10-(hydroxymethyl)-8,10-dimethyl-3,5-dioxatetracyclo[6.5.1.04,14.011,14]tetradecane-2,6-dione (PubChem CID 73172459) has the molecular formula C15H20O5 and a molecular weight of 280.32 g/mol. Its IUPAC name is 10-(hydroxymethyl)-8,10-dimethyl-3,5-dioxatetracyclo[6.5.1.04,14.011,14]tetradecane-2,6-dione.

Molecular Properties

Compound Name10-(hydroxymethyl)-8,10-dimethyl-3,5-dioxatetracyclo[6.5.1.04,14.011,14]tetradecane-2,6-dione
PubChem CID73172459
Molecular FormulaC15H20O5
Molecular Weight280.32 g/mol
Exact Mass280.13
IUPAC Name10-(hydroxymethyl)-8,10-dimethyl-3,5-dioxatetracyclo[6.5.1.04,14.011,14]tetradecane-2,6-dione
SMILESCC1(CO)CC2(C)CC(=O)OC3OC(=O)C4CCC1C342
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
InChIKeyJDYIPAACNVDCTH-UHFFFAOYSA-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 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

Penifulvin A
CID 42604589
Penifulvin B
CID 11994451
Penifulvin E
CID 11994448
8,10,10-Trimethyl-3,5-dioxatetracyclo[6.5.1.04,14.011,14]tetradecane-2,6-dione
CID 73069238
Penifulvin C
CID 11994447
Penifulvin D
CID 11994452
13-Hydroxy-8,10,10-trimethyl-3,5-dioxatetracyclo[6.5.1.04,14.011,14]tetradecane-2,6-dione
CID 73172460
1-Hydroxy-8,10,10-trimethyl-3,5-dioxatetracyclo[6.5.1.04,14.011,14]tetradecane-2,6-dione
CID 73172463
(1R,4S,8R,11S)-8,10,10-trimethyl-3,5-dioxatetracyclo[6.5.1.04,14.011,14]tetradecane-2,6-dione
CID 11708730
(1R,4R,8R,11S)-8,10,10-trimethyl-3,5-dioxatetracyclo[6.5.1.04,14.011,14]tetradecane-2,6-dione
CID 134942174
(1R,8R,11S)-8,10,10-trimethyl-3,5-dioxatetracyclo[6.5.1.04,14.011,14]tetradecane-2,6-dione
CID 135066788
(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

Frequently Asked Questions

What is the IUPAC name of 10-(hydroxymethyl)-8,10-dimethyl-3,5-dioxatetracyclo[6.5.1.04,14.011,14]tetradecane-2,6-dione?
The IUPAC name of 10-(hydroxymethyl)-8,10-dimethyl-3,5-dioxatetracyclo[6.5.1.04,14.011,14]tetradecane-2,6-dione (CID 73172459) is 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 10-(hydroxymethyl)-8,10-dimethyl-3,5-dioxatetracyclo[6.5.1.04,14.011,14]tetradecane-2,6-dione?
The canonical SMILES for 10-(hydroxymethyl)-8,10-dimethyl-3,5-dioxatetracyclo[6.5.1.04,14.011,14]tetradecane-2,6-dione is CC1(CO)CC2(C)CC(=O)OC3OC(=O)C4CCC1C342.
What is the InChIKey of 10-(hydroxymethyl)-8,10-dimethyl-3,5-dioxatetracyclo[6.5.1.04,14.011,14]tetradecane-2,6-dione?
The InChIKey is JDYIPAACNVDCTH-UHFFFAOYSA-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.
What are the key properties of 10-(hydroxymethyl)-8,10-dimethyl-3,5-dioxatetracyclo[6.5.1.04,14.011,14]tetradecane-2,6-dione?
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 10-(hydroxymethyl)-8,10-dimethyl-3,5-dioxatetracyclo[6.5.1.04,14.011,14]tetradecane-2,6-dione is sourced from PubChem (CID 73172459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).