(7R,14S)-7,14-dihydroxy-2,6,14-trimethyl-4,11-dioxatetracyclo[6.3.3.01,8.02,6]tetradecane-5,10-dione

C15H20O6 — CID 162416836

IUPAC(7R,14S)-7,14-dihydroxy-2,6,14-trimethyl-4,11-dioxatetracyclo[6.3.3.01,8.02,6]tetradecane-5,10-dione
SMILESCC12C(=O)OCC1(C)C13CC[C@](C)(O)C1(CC(=O)O3)[C@H]2O
InChIInChI=1S/C15H20O6/c1-11-7-20-10(18)13(11,3)9(17)14-6-8(16)21-15(11,14)5-4-12(14,2)19/h9,17,19H,4-7H2,1-3H3/t9-,11?,12-,13?,14?,15?/m0/s1
InChIKeyNRWHGPZPTAZIGN-JWNDGWCBSA-N
MW296.32 g/mol
LogP0.15
Rot. Bonds

About (7R,14S)-7,14-dihydroxy-2,6,14-trimethyl-4,11-dioxatetracyclo[6.3.3.01,8.02,6]tetradecane-5,10-dione

(7R,14S)-7,14-dihydroxy-2,6,14-trimethyl-4,11-dioxatetracyclo[6.3.3.01,8.02,6]tetradecane-5,10-dione (PubChem CID 162416836) has the molecular formula C15H20O6 and a molecular weight of 296.32 g/mol. Its IUPAC name is (7R,14S)-7,14-dihydroxy-2,6,14-trimethyl-4,11-dioxatetracyclo[6.3.3.01,8.02,6]tetradecane-5,10-dione.

Molecular Properties

Compound Name(7R,14S)-7,14-dihydroxy-2,6,14-trimethyl-4,11-dioxatetracyclo[6.3.3.01,8.02,6]tetradecane-5,10-dione
PubChem CID162416836
Molecular FormulaC15H20O6
Molecular Weight296.32 g/mol
Exact Mass296.13
IUPAC Name(7R,14S)-7,14-dihydroxy-2,6,14-trimethyl-4,11-dioxatetracyclo[6.3.3.01,8.02,6]tetradecane-5,10-dione
SMILESCC12C(=O)OCC1(C)C13CC[C@](C)(O)C1(CC(=O)O3)[C@H]2O
InChIInChI=1S/C15H20O6/c1-11-7-20-10(18)13(11,3)9(17)14-6-8(16)21-15(11,14)5-4-12(14,2)19/h9,17,19H,4-7H2,1-3H3/t9-,11?,12-,13?,14?,15?/m0/s1
InChIKeyNRWHGPZPTAZIGN-JWNDGWCBSA-N
XLogP0.15
TPSA93.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.32
LogP ≤ 50.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (7R,14S)-7,14-dihydroxy-2,6,14-trimethyl-4,11-dioxatetracyclo[6.3.3.01,8.02,6]tetradecane-5,10-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of (7R,14S)-7,14-dihydroxy-2,6,14-trimethyl-4,11-dioxatetracyclo[6.3.3.01,8.02,6]tetradecane-5,10-dione?
The IUPAC name of (7R,14S)-7,14-dihydroxy-2,6,14-trimethyl-4,11-dioxatetracyclo[6.3.3.01,8.02,6]tetradecane-5,10-dione (CID 162416836) is (7R,14S)-7,14-dihydroxy-2,6,14-trimethyl-4,11-dioxatetracyclo[6.3.3.01,8.02,6]tetradecane-5,10-dione.
What is the SMILES notation for (7R,14S)-7,14-dihydroxy-2,6,14-trimethyl-4,11-dioxatetracyclo[6.3.3.01,8.02,6]tetradecane-5,10-dione?
The canonical SMILES for (7R,14S)-7,14-dihydroxy-2,6,14-trimethyl-4,11-dioxatetracyclo[6.3.3.01,8.02,6]tetradecane-5,10-dione is CC12C(=O)OCC1(C)C13CC[C@](C)(O)C1(CC(=O)O3)[C@H]2O.
What is the InChIKey of (7R,14S)-7,14-dihydroxy-2,6,14-trimethyl-4,11-dioxatetracyclo[6.3.3.01,8.02,6]tetradecane-5,10-dione?
The InChIKey is NRWHGPZPTAZIGN-JWNDGWCBSA-N. The full InChI is InChI=1S/C15H20O6/c1-11-7-20-10(18)13(11,3)9(17)14-6-8(16)21-15(11,14)5-4-12(14,2)19/h9,17,19H,4-7H2,1-3H3/t9-,11?,12-,13?,14?,15?/m0/s1.
What are the key properties of (7R,14S)-7,14-dihydroxy-2,6,14-trimethyl-4,11-dioxatetracyclo[6.3.3.01,8.02,6]tetradecane-5,10-dione?
(7R,14S)-7,14-dihydroxy-2,6,14-trimethyl-4,11-dioxatetracyclo[6.3.3.01,8.02,6]tetradecane-5,10-dione has a molecular weight of 296.32 g/mol, XLogP of 0.15, 0 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (7R,14S)-7,14-dihydroxy-2,6,14-trimethyl-4,11-dioxatetracyclo[6.3.3.01,8.02,6]tetradecane-5,10-dione is sourced from PubChem (CID 162416836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).