(1R,8R,9R,10S,11S,12S)-9,10-dihydroxy-14,14-dimethyl-6-oxatetracyclo[9.2.1.04,12.08,12]tetradec-3-en-5-one

C15H20O4 — CID 163105851

IUPAC(1R,8R,9R,10S,11S,12S)-9,10-dihydroxy-14,14-dimethyl-6-oxatetracyclo[9.2.1.04,12.08,12]tetradec-3-en-5-one
SMILESCC1(C)[C@@H]2CC=C3C(=O)OC[C@@H]4[C@@H](O)[C@@H](O)[C@@H]1[C@]34C2
InChIInChI=1S/C15H20O4/c1-14(2)7-3-4-8-13(18)19-6-9-10(16)11(17)12(14)15(8,9)5-7/h4,7,9-12,16-17H,3,5-6H2,1-2H3/t7-,9-,10-,11-,12+,15-/m1/s1
InChIKeyRPENBJGKZCCIDL-PWEOXZDBSA-N
MW264.32 g/mol
LogP0.87
Rot. Bonds

About (1R,8R,9R,10S,11S,12S)-9,10-dihydroxy-14,14-dimethyl-6-oxatetracyclo[9.2.1.04,12.08,12]tetradec-3-en-5-one

(1R,8R,9R,10S,11S,12S)-9,10-dihydroxy-14,14-dimethyl-6-oxatetracyclo[9.2.1.04,12.08,12]tetradec-3-en-5-one (PubChem CID 163105851) has the molecular formula C15H20O4 and a molecular weight of 264.32 g/mol. Its IUPAC name is (1R,8R,9R,10S,11S,12S)-9,10-dihydroxy-14,14-dimethyl-6-oxatetracyclo[9.2.1.04,12.08,12]tetradec-3-en-5-one.

Molecular Properties

Compound Name(1R,8R,9R,10S,11S,12S)-9,10-dihydroxy-14,14-dimethyl-6-oxatetracyclo[9.2.1.04,12.08,12]tetradec-3-en-5-one
PubChem CID163105851
Molecular FormulaC15H20O4
Molecular Weight264.32 g/mol
Exact Mass264.14
IUPAC Name(1R,8R,9R,10S,11S,12S)-9,10-dihydroxy-14,14-dimethyl-6-oxatetracyclo[9.2.1.04,12.08,12]tetradec-3-en-5-one
SMILESCC1(C)[C@@H]2CC=C3C(=O)OC[C@@H]4[C@@H](O)[C@@H](O)[C@@H]1[C@]34C2
InChIInChI=1S/C15H20O4/c1-14(2)7-3-4-8-13(18)19-6-9-10(16)11(17)12(14)15(8,9)5-7/h4,7,9-12,16-17H,3,5-6H2,1-2H3/t7-,9-,10-,11-,12+,15-/m1/s1
InChIKeyRPENBJGKZCCIDL-PWEOXZDBSA-N
XLogP0.87
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (1R,8R,9R,10S,11S,12S)-9,10-dihydroxy-14,14-dimethyl-6-oxatetracyclo[9.2.1.04,12.08,12]tetradec-3-en-5-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of (1R,8R,9R,10S,11S,12S)-9,10-dihydroxy-14,14-dimethyl-6-oxatetracyclo[9.2.1.04,12.08,12]tetradec-3-en-5-one?
The IUPAC name of (1R,8R,9R,10S,11S,12S)-9,10-dihydroxy-14,14-dimethyl-6-oxatetracyclo[9.2.1.04,12.08,12]tetradec-3-en-5-one (CID 163105851) is (1R,8R,9R,10S,11S,12S)-9,10-dihydroxy-14,14-dimethyl-6-oxatetracyclo[9.2.1.04,12.08,12]tetradec-3-en-5-one.
What is the SMILES notation for (1R,8R,9R,10S,11S,12S)-9,10-dihydroxy-14,14-dimethyl-6-oxatetracyclo[9.2.1.04,12.08,12]tetradec-3-en-5-one?
The canonical SMILES for (1R,8R,9R,10S,11S,12S)-9,10-dihydroxy-14,14-dimethyl-6-oxatetracyclo[9.2.1.04,12.08,12]tetradec-3-en-5-one is CC1(C)[C@@H]2CC=C3C(=O)OC[C@@H]4[C@@H](O)[C@@H](O)[C@@H]1[C@]34C2.
What is the InChIKey of (1R,8R,9R,10S,11S,12S)-9,10-dihydroxy-14,14-dimethyl-6-oxatetracyclo[9.2.1.04,12.08,12]tetradec-3-en-5-one?
The InChIKey is RPENBJGKZCCIDL-PWEOXZDBSA-N. The full InChI is InChI=1S/C15H20O4/c1-14(2)7-3-4-8-13(18)19-6-9-10(16)11(17)12(14)15(8,9)5-7/h4,7,9-12,16-17H,3,5-6H2,1-2H3/t7-,9-,10-,11-,12+,15-/m1/s1.
What are the key properties of (1R,8R,9R,10S,11S,12S)-9,10-dihydroxy-14,14-dimethyl-6-oxatetracyclo[9.2.1.04,12.08,12]tetradec-3-en-5-one?
(1R,8R,9R,10S,11S,12S)-9,10-dihydroxy-14,14-dimethyl-6-oxatetracyclo[9.2.1.04,12.08,12]tetradec-3-en-5-one has a molecular weight of 264.32 g/mol, XLogP of 0.87, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,8R,9R,10S,11S,12S)-9,10-dihydroxy-14,14-dimethyl-6-oxatetracyclo[9.2.1.04,12.08,12]tetradec-3-en-5-one is sourced from PubChem (CID 163105851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).