(1R,9R,10S,11R,13R,14S)-10,14-dihydroxy-1,6,10-trimethyl-4,12-dioxatetracyclo[7.5.0.03,7.011,13]tetradeca-2,6-dien-5-one

C15H18O5 — CID 163028767

IUPAC(1R,9R,10S,11R,13R,14S)-10,14-dihydroxy-1,6,10-trimethyl-4,12-dioxatetracyclo[7.5.0.03,7.011,13]tetradeca-2,6-dien-5-one
SMILESCC1=C2C[C@H]3[C@](C)(O)[C@@H]4O[C@@H]4[C@@H](O)[C@]3(C)C=C2OC1=O
InChIInChI=1S/C15H18O5/c1-6-7-4-9-14(2,5-8(7)19-13(6)17)11(16)10-12(20-10)15(9,3)18/h5,9-12,16,18H,4H2,1-3H3/t9-,10-,11-,12-,14-,15+/m1/s1
InChIKeyGFMJLPQUCLMOST-HTKHVQBFSA-N
MW278.30 g/mol
LogP0.66
Rot. Bonds

About (1R,9R,10S,11R,13R,14S)-10,14-dihydroxy-1,6,10-trimethyl-4,12-dioxatetracyclo[7.5.0.03,7.011,13]tetradeca-2,6-dien-5-one

(1R,9R,10S,11R,13R,14S)-10,14-dihydroxy-1,6,10-trimethyl-4,12-dioxatetracyclo[7.5.0.03,7.011,13]tetradeca-2,6-dien-5-one (PubChem CID 163028767) has the molecular formula C15H18O5 and a molecular weight of 278.30 g/mol. Its IUPAC name is (1R,9R,10S,11R,13R,14S)-10,14-dihydroxy-1,6,10-trimethyl-4,12-dioxatetracyclo[7.5.0.03,7.011,13]tetradeca-2,6-dien-5-one.

Molecular Properties

Compound Name(1R,9R,10S,11R,13R,14S)-10,14-dihydroxy-1,6,10-trimethyl-4,12-dioxatetracyclo[7.5.0.03,7.011,13]tetradeca-2,6-dien-5-one
PubChem CID163028767
Molecular FormulaC15H18O5
Molecular Weight278.30 g/mol
Exact Mass278.12
IUPAC Name(1R,9R,10S,11R,13R,14S)-10,14-dihydroxy-1,6,10-trimethyl-4,12-dioxatetracyclo[7.5.0.03,7.011,13]tetradeca-2,6-dien-5-one
SMILESCC1=C2C[C@H]3[C@](C)(O)[C@@H]4O[C@@H]4[C@@H](O)[C@]3(C)C=C2OC1=O
InChIInChI=1S/C15H18O5/c1-6-7-4-9-14(2,5-8(7)19-13(6)17)11(16)10-12(20-10)15(9,3)18/h5,9-12,16,18H,4H2,1-3H3/t9-,10-,11-,12-,14-,15+/m1/s1
InChIKeyGFMJLPQUCLMOST-HTKHVQBFSA-N
XLogP0.66
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.30
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (1R,9R,10S,11R,13R,14S)-10,14-dihydroxy-1,6,10-trimethyl-4,12-dioxatetracyclo[7.5.0.03,7.011,13]tetradeca-2,6-dien-5-one with MolForge

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Related Compounds

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(4aR,8R,8aR)-8-hydroxy-3,5,8a-trimethyl-4a,8-dihydro-4H-benzo[f][1]benzofuran-2,7-dione
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8a-hydroxy-3,4a,5-trimethyl-4,5,6,7-tetrahydrobenzo[f][1]benzofuran-2,8-dione
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(8aR)-8a-ethenyl-3-methyl-5-methylidene-4a,6,7,8-tetrahydro-4H-benzo[f][1]benzofuran-2-one
CID 144967836
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CID 14287461
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CID 163067808
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[(4S,4aR,5R,8S,8aR)-4,8a-dihydroxy-3,4a,5-trimethyl-2-oxo-5,6,7,8-tetrahydro-4H-benzo[f][1]benzofuran-8-yl] 2-methylbut-2-enoate
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(1R,4S,5S,8S,12R)-5,12-dihydroxy-1,7,8-trimethyl-3,10-dioxatetracyclo[6.4.1.04,13.09,11]tridec-6-en-2-one
CID 102296026

Frequently Asked Questions

What is the IUPAC name of (1R,9R,10S,11R,13R,14S)-10,14-dihydroxy-1,6,10-trimethyl-4,12-dioxatetracyclo[7.5.0.03,7.011,13]tetradeca-2,6-dien-5-one?
The IUPAC name of (1R,9R,10S,11R,13R,14S)-10,14-dihydroxy-1,6,10-trimethyl-4,12-dioxatetracyclo[7.5.0.03,7.011,13]tetradeca-2,6-dien-5-one (CID 163028767) is (1R,9R,10S,11R,13R,14S)-10,14-dihydroxy-1,6,10-trimethyl-4,12-dioxatetracyclo[7.5.0.03,7.011,13]tetradeca-2,6-dien-5-one.
What is the SMILES notation for (1R,9R,10S,11R,13R,14S)-10,14-dihydroxy-1,6,10-trimethyl-4,12-dioxatetracyclo[7.5.0.03,7.011,13]tetradeca-2,6-dien-5-one?
The canonical SMILES for (1R,9R,10S,11R,13R,14S)-10,14-dihydroxy-1,6,10-trimethyl-4,12-dioxatetracyclo[7.5.0.03,7.011,13]tetradeca-2,6-dien-5-one is CC1=C2C[C@H]3[C@](C)(O)[C@@H]4O[C@@H]4[C@@H](O)[C@]3(C)C=C2OC1=O.
What is the InChIKey of (1R,9R,10S,11R,13R,14S)-10,14-dihydroxy-1,6,10-trimethyl-4,12-dioxatetracyclo[7.5.0.03,7.011,13]tetradeca-2,6-dien-5-one?
The InChIKey is GFMJLPQUCLMOST-HTKHVQBFSA-N. The full InChI is InChI=1S/C15H18O5/c1-6-7-4-9-14(2,5-8(7)19-13(6)17)11(16)10-12(20-10)15(9,3)18/h5,9-12,16,18H,4H2,1-3H3/t9-,10-,11-,12-,14-,15+/m1/s1.
What are the key properties of (1R,9R,10S,11R,13R,14S)-10,14-dihydroxy-1,6,10-trimethyl-4,12-dioxatetracyclo[7.5.0.03,7.011,13]tetradeca-2,6-dien-5-one?
(1R,9R,10S,11R,13R,14S)-10,14-dihydroxy-1,6,10-trimethyl-4,12-dioxatetracyclo[7.5.0.03,7.011,13]tetradeca-2,6-dien-5-one has a molecular weight of 278.30 g/mol, XLogP of 0.66, 0 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,9R,10S,11R,13R,14S)-10,14-dihydroxy-1,6,10-trimethyl-4,12-dioxatetracyclo[7.5.0.03,7.011,13]tetradeca-2,6-dien-5-one is sourced from PubChem (CID 163028767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).