(7R)-3-(hydroxymethyl)-4-oxatricyclo[6.2.1.02,7]undec-9-en-6-one

C11H14O3 — CID 177108773

IUPAC(7R)-3-(hydroxymethyl)-4-oxatricyclo[6.2.1.02,7]undec-9-en-6-one
SMILESO=C1COC(CO)C2C3C=CC(C3)[C@@H]12
InChIInChI=1S/C11H14O3/c12-4-9-11-7-2-1-6(3-7)10(11)8(13)5-14-9/h1-2,6-7,9-12H,3-5H2/t6?,7?,9?,10-,11?/m0/s1
InChIKeyDIBMLQLIWGFUJQ-LOBUOIKQSA-N
MW194.23 g/mol
LogP0.38
Rot. Bonds1

About (7R)-3-(hydroxymethyl)-4-oxatricyclo[6.2.1.02,7]undec-9-en-6-one

(7R)-3-(hydroxymethyl)-4-oxatricyclo[6.2.1.02,7]undec-9-en-6-one (PubChem CID 177108773) has the molecular formula C11H14O3 and a molecular weight of 194.23 g/mol. Its IUPAC name is (7R)-3-(hydroxymethyl)-4-oxatricyclo[6.2.1.02,7]undec-9-en-6-one.

Molecular Properties

Compound Name(7R)-3-(hydroxymethyl)-4-oxatricyclo[6.2.1.02,7]undec-9-en-6-one
PubChem CID177108773
Molecular FormulaC11H14O3
Molecular Weight194.23 g/mol
Exact Mass194.09
IUPAC Name(7R)-3-(hydroxymethyl)-4-oxatricyclo[6.2.1.02,7]undec-9-en-6-one
SMILESO=C1COC(CO)C2C3C=CC(C3)[C@@H]12
InChIInChI=1S/C11H14O3/c12-4-9-11-7-2-1-6(3-7)10(11)8(13)5-14-9/h1-2,6-7,9-12H,3-5H2/t6?,7?,9?,10-,11?/m0/s1
InChIKeyDIBMLQLIWGFUJQ-LOBUOIKQSA-N
XLogP0.38
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(1S,2R,4S,5R,6S)-4-hydroxytricyclo[4.2.1.02,5]non-7-en-3-one
CID 98474774
(1R,2S,4R,5S,6R)-4-hydroxytricyclo[4.2.1.02,5]non-7-en-3-one
CID 124764507
(1R,2R,4S,5R,6S)-4-hydroxytricyclo[4.2.1.02,5]non-7-en-3-one
CID 92962461
(1R,2S,3S,4S,7S,8R,10S,11R)-pentacyclo[9.2.1.14,7.02,10.03,8]pentadeca-5,12-dien-9-one
CID 98478068
4,5-dihydroxy-6-(hydroxymethyl)oxan-3-one
CID 14299935
(1R,5R,7S)-5-methyltricyclo[5.2.1.02,6]dec-8-en-3-one
CID 130891457
(1S,2R,4S,5R,8S,9S,11S,12R)-pentacyclo[10.2.1.15,8.02,11.04,9]hexadeca-6,13-diene-3,10-dione
CID 11889790
(2S,4S,5S,8S,9R,11R)-pentacyclo[10.2.1.15,8.02,11.04,9]hexadeca-6,13-diene-3,10-dione
CID 132540584
pentacyclo[6.5.1.13,6.02,7.09,13]pentadec-4-ene-10,12-dione
CID 20720524
(1R,2S,6S)-4-oxatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
CID 135037907
(1R,2S,6R,7S)-4-hydroxy-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
CID 6541657
(1R,2S,6R,7R)-4-[(1R,2R,6S,7R)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
CID 124833190

Frequently Asked Questions

What is the IUPAC name of (7R)-3-(hydroxymethyl)-4-oxatricyclo[6.2.1.02,7]undec-9-en-6-one?
The IUPAC name of (7R)-3-(hydroxymethyl)-4-oxatricyclo[6.2.1.02,7]undec-9-en-6-one (CID 177108773) is (7R)-3-(hydroxymethyl)-4-oxatricyclo[6.2.1.02,7]undec-9-en-6-one.
What is the SMILES notation for (7R)-3-(hydroxymethyl)-4-oxatricyclo[6.2.1.02,7]undec-9-en-6-one?
The canonical SMILES for (7R)-3-(hydroxymethyl)-4-oxatricyclo[6.2.1.02,7]undec-9-en-6-one is O=C1COC(CO)C2C3C=CC(C3)[C@@H]12.
What is the InChIKey of (7R)-3-(hydroxymethyl)-4-oxatricyclo[6.2.1.02,7]undec-9-en-6-one?
The InChIKey is DIBMLQLIWGFUJQ-LOBUOIKQSA-N. The full InChI is InChI=1S/C11H14O3/c12-4-9-11-7-2-1-6(3-7)10(11)8(13)5-14-9/h1-2,6-7,9-12H,3-5H2/t6?,7?,9?,10-,11?/m0/s1.
What are the key properties of (7R)-3-(hydroxymethyl)-4-oxatricyclo[6.2.1.02,7]undec-9-en-6-one?
(7R)-3-(hydroxymethyl)-4-oxatricyclo[6.2.1.02,7]undec-9-en-6-one has a molecular weight of 194.23 g/mol, XLogP of 0.38, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (7R)-3-(hydroxymethyl)-4-oxatricyclo[6.2.1.02,7]undec-9-en-6-one is sourced from PubChem (CID 177108773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).