(1R,8R,11R,12S,14R)-14-methyl-5-oxo-6-oxatetracyclo[9.2.1.04,12.08,12]tetradec-3-ene-14-carboxylic acid

C15H18O4 — CID 162924319

IUPAC(1R,8R,11R,12S,14R)-14-methyl-5-oxo-6-oxatetracyclo[9.2.1.04,12.08,12]tetradec-3-ene-14-carboxylic acid
SMILESC[C@@]1(C(=O)O)[C@@H]2CC=C3C(=O)OC[C@@H]4CC[C@@H]1[C@]34C2
InChIInChI=1S/C15H18O4/c1-14(13(17)18)8-2-4-10-12(16)19-7-9-3-5-11(14)15(9,10)6-8/h4,8-9,11H,2-3,5-7H2,1H3,(H,17,18)/t8-,9+,11+,14-,15+/m1/s1
InChIKeyDRUHGGPFJWGIQH-CDFCKNRYSA-N
MW262.30 g/mol
LogP2.00
Rot. Bonds1

About (1R,8R,11R,12S,14R)-14-methyl-5-oxo-6-oxatetracyclo[9.2.1.04,12.08,12]tetradec-3-ene-14-carboxylic acid

(1R,8R,11R,12S,14R)-14-methyl-5-oxo-6-oxatetracyclo[9.2.1.04,12.08,12]tetradec-3-ene-14-carboxylic acid (PubChem CID 162924319) has the molecular formula C15H18O4 and a molecular weight of 262.30 g/mol. Its IUPAC name is (1R,8R,11R,12S,14R)-14-methyl-5-oxo-6-oxatetracyclo[9.2.1.04,12.08,12]tetradec-3-ene-14-carboxylic acid.

Molecular Properties

Compound Name(1R,8R,11R,12S,14R)-14-methyl-5-oxo-6-oxatetracyclo[9.2.1.04,12.08,12]tetradec-3-ene-14-carboxylic acid
PubChem CID162924319
Molecular FormulaC15H18O4
Molecular Weight262.30 g/mol
Exact Mass262.12
IUPAC Name(1R,8R,11R,12S,14R)-14-methyl-5-oxo-6-oxatetracyclo[9.2.1.04,12.08,12]tetradec-3-ene-14-carboxylic acid
SMILESC[C@@]1(C(=O)O)[C@@H]2CC=C3C(=O)OC[C@@H]4CC[C@@H]1[C@]34C2
InChIInChI=1S/C15H18O4/c1-14(13(17)18)8-2-4-10-12(16)19-7-9-3-5-11(14)15(9,10)6-8/h4,8-9,11H,2-3,5-7H2,1H3,(H,17,18)/t8-,9+,11+,14-,15+/m1/s1
InChIKeyDRUHGGPFJWGIQH-CDFCKNRYSA-N
XLogP2.00
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.30
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (1R,8R,11R,12S,14R)-14-methyl-5-oxo-6-oxatetracyclo[9.2.1.04,12.08,12]tetradec-3-ene-14-carboxylic acid with MolForge

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Related Compounds

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CID 45782833
(1R,2S,8S,11S,12S)-2-hydroxy-14,14-dimethyl-6-oxatetracyclo[9.2.1.04,12.08,12]tetradec-3-en-5-one
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pentalenolactone E(1-)
CID 70679014
(2S,6S,7R)-6-[(E)-3-methoxy-2-methyl-3-oxoprop-1-enyl]-6,8-dimethyltricyclo[5.3.1.01,5]undec-8-ene-2-carboxylic acid
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(1R,8R,11S,12S)-14,14-dimethyl-6-oxatetracyclo[9.2.1.04,12.08,12]tetradec-3-en-5-one
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(1R,8S,11R,12S,14R)-14-methyl-5-oxo-6-oxatetracyclo[9.2.1.04,12.08,12]tetradec-3-ene-14-carboxylic acid
CID 162924320
(1R,7R,8R,11S,12S)-7-hydroxy-14,14-dimethyl-6-oxatetracyclo[9.2.1.04,12.08,12]tetradec-3-en-5-one
CID 163104439
(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
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(1R,8R,11S,12S)-14,14-dimethyl-6-oxatetracyclo[9.2.1.04,12.08,12]tetradec-3-en-7-one
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Frequently Asked Questions

What is the IUPAC name of (1R,8R,11R,12S,14R)-14-methyl-5-oxo-6-oxatetracyclo[9.2.1.04,12.08,12]tetradec-3-ene-14-carboxylic acid?
The IUPAC name of (1R,8R,11R,12S,14R)-14-methyl-5-oxo-6-oxatetracyclo[9.2.1.04,12.08,12]tetradec-3-ene-14-carboxylic acid (CID 162924319) is (1R,8R,11R,12S,14R)-14-methyl-5-oxo-6-oxatetracyclo[9.2.1.04,12.08,12]tetradec-3-ene-14-carboxylic acid.
What is the SMILES notation for (1R,8R,11R,12S,14R)-14-methyl-5-oxo-6-oxatetracyclo[9.2.1.04,12.08,12]tetradec-3-ene-14-carboxylic acid?
The canonical SMILES for (1R,8R,11R,12S,14R)-14-methyl-5-oxo-6-oxatetracyclo[9.2.1.04,12.08,12]tetradec-3-ene-14-carboxylic acid is C[C@@]1(C(=O)O)[C@@H]2CC=C3C(=O)OC[C@@H]4CC[C@@H]1[C@]34C2.
What is the InChIKey of (1R,8R,11R,12S,14R)-14-methyl-5-oxo-6-oxatetracyclo[9.2.1.04,12.08,12]tetradec-3-ene-14-carboxylic acid?
The InChIKey is DRUHGGPFJWGIQH-CDFCKNRYSA-N. The full InChI is InChI=1S/C15H18O4/c1-14(13(17)18)8-2-4-10-12(16)19-7-9-3-5-11(14)15(9,10)6-8/h4,8-9,11H,2-3,5-7H2,1H3,(H,17,18)/t8-,9+,11+,14-,15+/m1/s1.
What are the key properties of (1R,8R,11R,12S,14R)-14-methyl-5-oxo-6-oxatetracyclo[9.2.1.04,12.08,12]tetradec-3-ene-14-carboxylic acid?
(1R,8R,11R,12S,14R)-14-methyl-5-oxo-6-oxatetracyclo[9.2.1.04,12.08,12]tetradec-3-ene-14-carboxylic acid has a molecular weight of 262.30 g/mol, XLogP of 2.00, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,8R,11R,12S,14R)-14-methyl-5-oxo-6-oxatetracyclo[9.2.1.04,12.08,12]tetradec-3-ene-14-carboxylic acid is sourced from PubChem (CID 162924319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).