13-hydroxy-8,10,10-trimethyl-3,5-dioxatetracyclo[6.5.1.04,14.011,14]tetradecane-2,6-dione

C15H20O5 — CID 73172460

IUPAC13-hydroxy-8,10,10-trimethyl-3,5-dioxatetracyclo[6.5.1.04,14.011,14]tetradecane-2,6-dione
SMILESCC1(C)CC2(C)CC(=O)OC3OC(=O)C4C(O)CC1C342
InChIInChI=1S/C15H20O5/c1-13(2)6-14(3)5-9(17)19-12-15(14)8(13)4-7(16)10(15)11(18)20-12/h7-8,10,12,16H,4-6H2,1-3H3
InChIKeyWCGQSACAGPUTQJ-UHFFFAOYSA-N
MW280.32 g/mol
LogP1.24
Rot. Bonds

About 13-hydroxy-8,10,10-trimethyl-3,5-dioxatetracyclo[6.5.1.04,14.011,14]tetradecane-2,6-dione

13-hydroxy-8,10,10-trimethyl-3,5-dioxatetracyclo[6.5.1.04,14.011,14]tetradecane-2,6-dione (PubChem CID 73172460) has the molecular formula C15H20O5 and a molecular weight of 280.32 g/mol. Its IUPAC name is 13-hydroxy-8,10,10-trimethyl-3,5-dioxatetracyclo[6.5.1.04,14.011,14]tetradecane-2,6-dione.

Molecular Properties

Compound Name13-hydroxy-8,10,10-trimethyl-3,5-dioxatetracyclo[6.5.1.04,14.011,14]tetradecane-2,6-dione
PubChem CID73172460
Molecular FormulaC15H20O5
Molecular Weight280.32 g/mol
Exact Mass280.13
IUPAC Name13-hydroxy-8,10,10-trimethyl-3,5-dioxatetracyclo[6.5.1.04,14.011,14]tetradecane-2,6-dione
SMILESCC1(C)CC2(C)CC(=O)OC3OC(=O)C4C(O)CC1C342
InChIInChI=1S/C15H20O5/c1-13(2)6-14(3)5-9(17)19-12-15(14)8(13)4-7(16)10(15)11(18)20-12/h7-8,10,12,16H,4-6H2,1-3H3
InChIKeyWCGQSACAGPUTQJ-UHFFFAOYSA-N
XLogP1.24
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds
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 13-hydroxy-8,10,10-trimethyl-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
9-Hydroxysemperoside aglucone
CID 10398318
Penifulvin B
CID 11994451
Penifulvin E
CID 11994448
(3R,3aS,4R,5S,6aS)-4-(hydroxymethyl)-5-methyl-3-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one
CID 101098709
8,10,10-Trimethyl-3,5-dioxatetracyclo[6.5.1.04,14.011,14]tetradecane-2,6-dione
CID 73069238
Semperoside A
CID 11439812
Penifulvin C
CID 11994447
Penifulvin D
CID 11994452
10-(Hydroxymethyl)-8,10-dimethyl-3,5-dioxatetracyclo[6.5.1.04,14.011,14]tetradecane-2,6-dione
CID 73172459
1-Hydroxy-8,10,10-trimethyl-3,5-dioxatetracyclo[6.5.1.04,14.011,14]tetradecane-2,6-dione
CID 73172463
(3R,3aS,4R,5S,6aS)-3-(hydroxymethyl)-5-methyl-4-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one
CID 162921960

Frequently Asked Questions

What is the IUPAC name of 13-hydroxy-8,10,10-trimethyl-3,5-dioxatetracyclo[6.5.1.04,14.011,14]tetradecane-2,6-dione?
The IUPAC name of 13-hydroxy-8,10,10-trimethyl-3,5-dioxatetracyclo[6.5.1.04,14.011,14]tetradecane-2,6-dione (CID 73172460) is 13-hydroxy-8,10,10-trimethyl-3,5-dioxatetracyclo[6.5.1.04,14.011,14]tetradecane-2,6-dione.
What is the SMILES notation for 13-hydroxy-8,10,10-trimethyl-3,5-dioxatetracyclo[6.5.1.04,14.011,14]tetradecane-2,6-dione?
The canonical SMILES for 13-hydroxy-8,10,10-trimethyl-3,5-dioxatetracyclo[6.5.1.04,14.011,14]tetradecane-2,6-dione is CC1(C)CC2(C)CC(=O)OC3OC(=O)C4C(O)CC1C342.
What is the InChIKey of 13-hydroxy-8,10,10-trimethyl-3,5-dioxatetracyclo[6.5.1.04,14.011,14]tetradecane-2,6-dione?
The InChIKey is WCGQSACAGPUTQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O5/c1-13(2)6-14(3)5-9(17)19-12-15(14)8(13)4-7(16)10(15)11(18)20-12/h7-8,10,12,16H,4-6H2,1-3H3.
What are the key properties of 13-hydroxy-8,10,10-trimethyl-3,5-dioxatetracyclo[6.5.1.04,14.011,14]tetradecane-2,6-dione?
13-hydroxy-8,10,10-trimethyl-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, 0 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 13-hydroxy-8,10,10-trimethyl-3,5-dioxatetracyclo[6.5.1.04,14.011,14]tetradecane-2,6-dione is sourced from PubChem (CID 73172460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).