(2S,6S,9S,15S)-15-hydroxy-2,6,9,10-tetramethyl-4,8,13-trioxatetracyclo[7.4.2.01,10.02,6]pentadecane-5,12-dione

C16H22O6 — CID 71012953

IUPAC(2S,6S,9S,15S)-15-hydroxy-2,6,9,10-tetramethyl-4,8,13-trioxatetracyclo[7.4.2.01,10.02,6]pentadecane-5,12-dione
SMILESCC12CC(=O)OC13C[C@H](O)[C@@]2(C)OC[C@@]1(C)C(=O)OC[C@@]31C
InChIInChI=1S/C16H22O6/c1-12-7-21-15(4)9(17)5-16(13(15,2)6-10(18)22-16)14(12,3)8-20-11(12)19/h9,17H,5-8H2,1-4H3/t9-,12-,13?,14+,15+,16?/m0/s1
InChIKeyUKWMPZNBYMGQKS-RVRLUAFCSA-N
MW310.35 g/mol
LogP0.80
Rot. Bonds

About (2S,6S,9S,15S)-15-hydroxy-2,6,9,10-tetramethyl-4,8,13-trioxatetracyclo[7.4.2.01,10.02,6]pentadecane-5,12-dione

(2S,6S,9S,15S)-15-hydroxy-2,6,9,10-tetramethyl-4,8,13-trioxatetracyclo[7.4.2.01,10.02,6]pentadecane-5,12-dione (PubChem CID 71012953) has the molecular formula C16H22O6 and a molecular weight of 310.35 g/mol. Its IUPAC name is (2S,6S,9S,15S)-15-hydroxy-2,6,9,10-tetramethyl-4,8,13-trioxatetracyclo[7.4.2.01,10.02,6]pentadecane-5,12-dione.

Molecular Properties

Compound Name(2S,6S,9S,15S)-15-hydroxy-2,6,9,10-tetramethyl-4,8,13-trioxatetracyclo[7.4.2.01,10.02,6]pentadecane-5,12-dione
PubChem CID71012953
Molecular FormulaC16H22O6
Molecular Weight310.35 g/mol
Exact Mass310.14
IUPAC Name(2S,6S,9S,15S)-15-hydroxy-2,6,9,10-tetramethyl-4,8,13-trioxatetracyclo[7.4.2.01,10.02,6]pentadecane-5,12-dione
SMILESCC12CC(=O)OC13C[C@H](O)[C@@]2(C)OC[C@@]1(C)C(=O)OC[C@@]31C
InChIInChI=1S/C16H22O6/c1-12-7-21-15(4)9(17)5-16(13(15,2)6-10(18)22-16)14(12,3)8-20-11(12)19/h9,17H,5-8H2,1-4H3/t9-,12-,13?,14+,15+,16?/m0/s1
InChIKeyUKWMPZNBYMGQKS-RVRLUAFCSA-N
XLogP0.80
TPSA82.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (2S,6S,9S,15S)-15-hydroxy-2,6,9,10-tetramethyl-4,8,13-trioxatetracyclo[7.4.2.01,10.02,6]pentadecane-5,12-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2S,6S,9S,15S)-15-hydroxy-2,6,9,10-tetramethyl-4,8,13-trioxatetracyclo[7.4.2.01,10.02,6]pentadecane-5,12-dione?
The IUPAC name of (2S,6S,9S,15S)-15-hydroxy-2,6,9,10-tetramethyl-4,8,13-trioxatetracyclo[7.4.2.01,10.02,6]pentadecane-5,12-dione (CID 71012953) is (2S,6S,9S,15S)-15-hydroxy-2,6,9,10-tetramethyl-4,8,13-trioxatetracyclo[7.4.2.01,10.02,6]pentadecane-5,12-dione.
What is the SMILES notation for (2S,6S,9S,15S)-15-hydroxy-2,6,9,10-tetramethyl-4,8,13-trioxatetracyclo[7.4.2.01,10.02,6]pentadecane-5,12-dione?
The canonical SMILES for (2S,6S,9S,15S)-15-hydroxy-2,6,9,10-tetramethyl-4,8,13-trioxatetracyclo[7.4.2.01,10.02,6]pentadecane-5,12-dione is CC12CC(=O)OC13C[C@H](O)[C@@]2(C)OC[C@@]1(C)C(=O)OC[C@@]31C.
What is the InChIKey of (2S,6S,9S,15S)-15-hydroxy-2,6,9,10-tetramethyl-4,8,13-trioxatetracyclo[7.4.2.01,10.02,6]pentadecane-5,12-dione?
The InChIKey is UKWMPZNBYMGQKS-RVRLUAFCSA-N. The full InChI is InChI=1S/C16H22O6/c1-12-7-21-15(4)9(17)5-16(13(15,2)6-10(18)22-16)14(12,3)8-20-11(12)19/h9,17H,5-8H2,1-4H3/t9-,12-,13?,14+,15+,16?/m0/s1.
What are the key properties of (2S,6S,9S,15S)-15-hydroxy-2,6,9,10-tetramethyl-4,8,13-trioxatetracyclo[7.4.2.01,10.02,6]pentadecane-5,12-dione?
(2S,6S,9S,15S)-15-hydroxy-2,6,9,10-tetramethyl-4,8,13-trioxatetracyclo[7.4.2.01,10.02,6]pentadecane-5,12-dione has a molecular weight of 310.35 g/mol, XLogP of 0.80, 0 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,6S,9S,15S)-15-hydroxy-2,6,9,10-tetramethyl-4,8,13-trioxatetracyclo[7.4.2.01,10.02,6]pentadecane-5,12-dione is sourced from PubChem (CID 71012953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).