(1S,4S,8R,11S,14R)-1-hydroxy-8,10,10-trimethyl-3,5-dioxatetracyclo[6.5.1.04,14.011,14]tetradecane-2,6-dione

C15H20O5 — CID 11994452

IUPAC(1S,4S,8R,11S,14R)-1-hydroxy-8,10,10-trimethyl-3,5-dioxatetracyclo[6.5.1.04,14.011,14]tetradecane-2,6-dione
SMILESCC1(C)C[C@]2(C)CC(=O)O[C@H]3OC(=O)[C@]4(O)CC[C@@H]1[C@@]324
InChIInChI=1S/C15H20O5/c1-12(2)7-13(3)6-9(16)19-11-15(13)8(12)4-5-14(15,18)10(17)20-11/h8,11,18H,4-7H2,1-3H3/t8-,11-,13-,14+,15+/m0/s1
InChIKeyHIORDXLXXKCJQD-WDYLMEIXSA-N
MW280.32 g/mol
LogP1.38
Rot. Bonds

About (1S,4S,8R,11S,14R)-1-hydroxy-8,10,10-trimethyl-3,5-dioxatetracyclo[6.5.1.04,14.011,14]tetradecane-2,6-dione

(1S,4S,8R,11S,14R)-1-hydroxy-8,10,10-trimethyl-3,5-dioxatetracyclo[6.5.1.04,14.011,14]tetradecane-2,6-dione (PubChem CID 11994452) has the molecular formula C15H20O5 and a molecular weight of 280.32 g/mol. Its IUPAC name is (1S,4S,8R,11S,14R)-1-hydroxy-8,10,10-trimethyl-3,5-dioxatetracyclo[6.5.1.04,14.011,14]tetradecane-2,6-dione.

Molecular Properties

Compound Name(1S,4S,8R,11S,14R)-1-hydroxy-8,10,10-trimethyl-3,5-dioxatetracyclo[6.5.1.04,14.011,14]tetradecane-2,6-dione
PubChem CID11994452
Molecular FormulaC15H20O5
Molecular Weight280.32 g/mol
Exact Mass280.13
IUPAC Name(1S,4S,8R,11S,14R)-1-hydroxy-8,10,10-trimethyl-3,5-dioxatetracyclo[6.5.1.04,14.011,14]tetradecane-2,6-dione
SMILESCC1(C)C[C@]2(C)CC(=O)O[C@H]3OC(=O)[C@]4(O)CC[C@@H]1[C@@]324
InChIInChI=1S/C15H20O5/c1-12(2)7-13(3)6-9(16)19-11-15(13)8(12)4-5-14(15,18)10(17)20-11/h8,11,18H,4-7H2,1-3H3/t8-,11-,13-,14+,15+/m0/s1
InChIKeyHIORDXLXXKCJQD-WDYLMEIXSA-N
XLogP1.38
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 ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (1S,4S,8R,11S,14R)-1-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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Frequently Asked Questions

What is the IUPAC name of (1S,4S,8R,11S,14R)-1-hydroxy-8,10,10-trimethyl-3,5-dioxatetracyclo[6.5.1.04,14.011,14]tetradecane-2,6-dione?
The IUPAC name of (1S,4S,8R,11S,14R)-1-hydroxy-8,10,10-trimethyl-3,5-dioxatetracyclo[6.5.1.04,14.011,14]tetradecane-2,6-dione (CID 11994452) is (1S,4S,8R,11S,14R)-1-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 (1S,4S,8R,11S,14R)-1-hydroxy-8,10,10-trimethyl-3,5-dioxatetracyclo[6.5.1.04,14.011,14]tetradecane-2,6-dione?
The canonical SMILES for (1S,4S,8R,11S,14R)-1-hydroxy-8,10,10-trimethyl-3,5-dioxatetracyclo[6.5.1.04,14.011,14]tetradecane-2,6-dione is CC1(C)C[C@]2(C)CC(=O)O[C@H]3OC(=O)[C@]4(O)CC[C@@H]1[C@@]324.
What is the InChIKey of (1S,4S,8R,11S,14R)-1-hydroxy-8,10,10-trimethyl-3,5-dioxatetracyclo[6.5.1.04,14.011,14]tetradecane-2,6-dione?
The InChIKey is HIORDXLXXKCJQD-WDYLMEIXSA-N. The full InChI is InChI=1S/C15H20O5/c1-12(2)7-13(3)6-9(16)19-11-15(13)8(12)4-5-14(15,18)10(17)20-11/h8,11,18H,4-7H2,1-3H3/t8-,11-,13-,14+,15+/m0/s1.
What are the key properties of (1S,4S,8R,11S,14R)-1-hydroxy-8,10,10-trimethyl-3,5-dioxatetracyclo[6.5.1.04,14.011,14]tetradecane-2,6-dione?
(1S,4S,8R,11S,14R)-1-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 1.38, 0 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,4S,8R,11S,14R)-1-hydroxy-8,10,10-trimethyl-3,5-dioxatetracyclo[6.5.1.04,14.011,14]tetradecane-2,6-dione is sourced from PubChem (CID 11994452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).