(1R,4R,7S,8R,11R,12R)-7,11-dihydroxy-3,3,7,11-tetramethyl-2-oxatricyclo[6.3.1.04,12]dodecan-10-one

C15H24O4 — CID 146682518

IUPAC(1R,4R,7S,8R,11R,12R)-7,11-dihydroxy-3,3,7,11-tetramethyl-2-oxatricyclo[6.3.1.04,12]dodecan-10-one
SMILESCC1(C)O[C@@H]2[C@H]3[C@H]1CC[C@](C)(O)[C@@H]3CC(=O)[C@]2(C)O
InChIInChI=1S/C15H24O4/c1-13(2)8-5-6-14(3,17)9-7-10(16)15(4,18)12(19-13)11(8)9/h8-9,11-12,17-18H,5-7H2,1-4H3/t8-,9-,11+,12-,14+,15+/m1/s1
InChIKeyFQJNBMDLOIHXER-PFJQPICRSA-N
MW268.35 g/mol
LogP1.28
Rot. Bonds

About (1R,4R,7S,8R,11R,12R)-7,11-dihydroxy-3,3,7,11-tetramethyl-2-oxatricyclo[6.3.1.04,12]dodecan-10-one

(1R,4R,7S,8R,11R,12R)-7,11-dihydroxy-3,3,7,11-tetramethyl-2-oxatricyclo[6.3.1.04,12]dodecan-10-one (PubChem CID 146682518) has the molecular formula C15H24O4 and a molecular weight of 268.35 g/mol. Its IUPAC name is (1R,4R,7S,8R,11R,12R)-7,11-dihydroxy-3,3,7,11-tetramethyl-2-oxatricyclo[6.3.1.04,12]dodecan-10-one.

Molecular Properties

Compound Name(1R,4R,7S,8R,11R,12R)-7,11-dihydroxy-3,3,7,11-tetramethyl-2-oxatricyclo[6.3.1.04,12]dodecan-10-one
PubChem CID146682518
Molecular FormulaC15H24O4
Molecular Weight268.35 g/mol
Exact Mass268.17
IUPAC Name(1R,4R,7S,8R,11R,12R)-7,11-dihydroxy-3,3,7,11-tetramethyl-2-oxatricyclo[6.3.1.04,12]dodecan-10-one
SMILESCC1(C)O[C@@H]2[C@H]3[C@H]1CC[C@](C)(O)[C@@H]3CC(=O)[C@]2(C)O
InChIInChI=1S/C15H24O4/c1-13(2)8-5-6-14(3,17)9-7-10(16)15(4,18)12(19-13)11(8)9/h8-9,11-12,17-18H,5-7H2,1-4H3/t8-,9-,11+,12-,14+,15+/m1/s1
InChIKeyFQJNBMDLOIHXER-PFJQPICRSA-N
XLogP1.28
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.35
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (1R,4R,7S,8R,11R,12R)-7,11-dihydroxy-3,3,7,11-tetramethyl-2-oxatricyclo[6.3.1.04,12]dodecan-10-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of (1R,4R,7S,8R,11R,12R)-7,11-dihydroxy-3,3,7,11-tetramethyl-2-oxatricyclo[6.3.1.04,12]dodecan-10-one?
The IUPAC name of (1R,4R,7S,8R,11R,12R)-7,11-dihydroxy-3,3,7,11-tetramethyl-2-oxatricyclo[6.3.1.04,12]dodecan-10-one (CID 146682518) is (1R,4R,7S,8R,11R,12R)-7,11-dihydroxy-3,3,7,11-tetramethyl-2-oxatricyclo[6.3.1.04,12]dodecan-10-one.
What is the SMILES notation for (1R,4R,7S,8R,11R,12R)-7,11-dihydroxy-3,3,7,11-tetramethyl-2-oxatricyclo[6.3.1.04,12]dodecan-10-one?
The canonical SMILES for (1R,4R,7S,8R,11R,12R)-7,11-dihydroxy-3,3,7,11-tetramethyl-2-oxatricyclo[6.3.1.04,12]dodecan-10-one is CC1(C)O[C@@H]2[C@H]3[C@H]1CC[C@](C)(O)[C@@H]3CC(=O)[C@]2(C)O.
What is the InChIKey of (1R,4R,7S,8R,11R,12R)-7,11-dihydroxy-3,3,7,11-tetramethyl-2-oxatricyclo[6.3.1.04,12]dodecan-10-one?
The InChIKey is FQJNBMDLOIHXER-PFJQPICRSA-N. The full InChI is InChI=1S/C15H24O4/c1-13(2)8-5-6-14(3,17)9-7-10(16)15(4,18)12(19-13)11(8)9/h8-9,11-12,17-18H,5-7H2,1-4H3/t8-,9-,11+,12-,14+,15+/m1/s1.
What are the key properties of (1R,4R,7S,8R,11R,12R)-7,11-dihydroxy-3,3,7,11-tetramethyl-2-oxatricyclo[6.3.1.04,12]dodecan-10-one?
(1R,4R,7S,8R,11R,12R)-7,11-dihydroxy-3,3,7,11-tetramethyl-2-oxatricyclo[6.3.1.04,12]dodecan-10-one has a molecular weight of 268.35 g/mol, XLogP of 1.28, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,4R,7S,8R,11R,12R)-7,11-dihydroxy-3,3,7,11-tetramethyl-2-oxatricyclo[6.3.1.04,12]dodecan-10-one is sourced from PubChem (CID 146682518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).