(1R,2S,4R,8R,10S,11R,13S)-11-hydroxy-2,11-dimethyl-7-methylidene-5,14-dioxatetracyclo[8.4.0.01,13.04,8]tetradecan-6-one

C15H20O4 — CID 122181865

IUPAC(1R,2S,4R,8R,10S,11R,13S)-11-hydroxy-2,11-dimethyl-7-methylidene-5,14-dioxatetracyclo[8.4.0.01,13.04,8]tetradecan-6-one
SMILESC=C1C(=O)O[C@@H]2C[C@H](C)[C@]34O[C@H]3C[C@@](C)(O)[C@@H]4C[C@H]12
InChIInChI=1S/C15H20O4/c1-7-4-10-9(8(2)13(16)18-10)5-11-14(3,17)6-12-15(7,11)19-12/h7,9-12,17H,2,4-6H2,1,3H3/t7-,9+,10+,11-,12-,14+,15+/m0/s1
InChIKeyOEGMFAFEWSCTOU-BYOSZBDKSA-N
MW264.32 g/mol
LogP1.42
Rot. Bonds

About (1R,2S,4R,8R,10S,11R,13S)-11-hydroxy-2,11-dimethyl-7-methylidene-5,14-dioxatetracyclo[8.4.0.01,13.04,8]tetradecan-6-one

(1R,2S,4R,8R,10S,11R,13S)-11-hydroxy-2,11-dimethyl-7-methylidene-5,14-dioxatetracyclo[8.4.0.01,13.04,8]tetradecan-6-one (PubChem CID 122181865) has the molecular formula C15H20O4 and a molecular weight of 264.32 g/mol. Its IUPAC name is (1R,2S,4R,8R,10S,11R,13S)-11-hydroxy-2,11-dimethyl-7-methylidene-5,14-dioxatetracyclo[8.4.0.01,13.04,8]tetradecan-6-one.

Molecular Properties

Compound Name(1R,2S,4R,8R,10S,11R,13S)-11-hydroxy-2,11-dimethyl-7-methylidene-5,14-dioxatetracyclo[8.4.0.01,13.04,8]tetradecan-6-one
PubChem CID122181865
Molecular FormulaC15H20O4
Molecular Weight264.32 g/mol
Exact Mass264.14
IUPAC Name(1R,2S,4R,8R,10S,11R,13S)-11-hydroxy-2,11-dimethyl-7-methylidene-5,14-dioxatetracyclo[8.4.0.01,13.04,8]tetradecan-6-one
SMILESC=C1C(=O)O[C@@H]2C[C@H](C)[C@]34O[C@H]3C[C@@](C)(O)[C@@H]4C[C@H]12
InChIInChI=1S/C15H20O4/c1-7-4-10-9(8(2)13(16)18-10)5-11-14(3,17)6-12-15(7,11)19-12/h7,9-12,17H,2,4-6H2,1,3H3/t7-,9+,10+,11-,12-,14+,15+/m0/s1
InChIKeyOEGMFAFEWSCTOU-BYOSZBDKSA-N
XLogP1.42
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Analyze (1R,2S,4R,8R,10S,11R,13S)-11-hydroxy-2,11-dimethyl-7-methylidene-5,14-dioxatetracyclo[8.4.0.01,13.04,8]tetradecan-6-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of (1R,2S,4R,8R,10S,11R,13S)-11-hydroxy-2,11-dimethyl-7-methylidene-5,14-dioxatetracyclo[8.4.0.01,13.04,8]tetradecan-6-one?
The IUPAC name of (1R,2S,4R,8R,10S,11R,13S)-11-hydroxy-2,11-dimethyl-7-methylidene-5,14-dioxatetracyclo[8.4.0.01,13.04,8]tetradecan-6-one (CID 122181865) is (1R,2S,4R,8R,10S,11R,13S)-11-hydroxy-2,11-dimethyl-7-methylidene-5,14-dioxatetracyclo[8.4.0.01,13.04,8]tetradecan-6-one.
What is the SMILES notation for (1R,2S,4R,8R,10S,11R,13S)-11-hydroxy-2,11-dimethyl-7-methylidene-5,14-dioxatetracyclo[8.4.0.01,13.04,8]tetradecan-6-one?
The canonical SMILES for (1R,2S,4R,8R,10S,11R,13S)-11-hydroxy-2,11-dimethyl-7-methylidene-5,14-dioxatetracyclo[8.4.0.01,13.04,8]tetradecan-6-one is C=C1C(=O)O[C@@H]2C[C@H](C)[C@]34O[C@H]3C[C@@](C)(O)[C@@H]4C[C@H]12.
What is the InChIKey of (1R,2S,4R,8R,10S,11R,13S)-11-hydroxy-2,11-dimethyl-7-methylidene-5,14-dioxatetracyclo[8.4.0.01,13.04,8]tetradecan-6-one?
The InChIKey is OEGMFAFEWSCTOU-BYOSZBDKSA-N. The full InChI is InChI=1S/C15H20O4/c1-7-4-10-9(8(2)13(16)18-10)5-11-14(3,17)6-12-15(7,11)19-12/h7,9-12,17H,2,4-6H2,1,3H3/t7-,9+,10+,11-,12-,14+,15+/m0/s1.
What are the key properties of (1R,2S,4R,8R,10S,11R,13S)-11-hydroxy-2,11-dimethyl-7-methylidene-5,14-dioxatetracyclo[8.4.0.01,13.04,8]tetradecan-6-one?
(1R,2S,4R,8R,10S,11R,13S)-11-hydroxy-2,11-dimethyl-7-methylidene-5,14-dioxatetracyclo[8.4.0.01,13.04,8]tetradecan-6-one has a molecular weight of 264.32 g/mol, XLogP of 1.42, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S,4R,8R,10S,11R,13S)-11-hydroxy-2,11-dimethyl-7-methylidene-5,14-dioxatetracyclo[8.4.0.01,13.04,8]tetradecan-6-one is sourced from PubChem (CID 122181865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).