7-hydroxy-5-methyl-4,11-dioxabicyclo[6.2.1]undec-9-en-3-one

C10H14O4 — CID 10262130

IUPAC7-hydroxy-5-methyl-4,11-dioxabicyclo[6.2.1]undec-9-en-3-one
SMILESCC1CC(O)C2C=CC(CC(=O)O1)O2
InChIInChI=1S/C10H14O4/c1-6-4-8(11)9-3-2-7(14-9)5-10(12)13-6/h2-3,6-9,11H,4-5H2,1H3
InChIKeyBTLWKUIXHYMYIL-UHFFFAOYSA-N
MW198.22 g/mol
LogP0.40
Rot. Bonds

About 7-hydroxy-5-methyl-4,11-dioxabicyclo[6.2.1]undec-9-en-3-one

7-hydroxy-5-methyl-4,11-dioxabicyclo[6.2.1]undec-9-en-3-one (PubChem CID 10262130) has the molecular formula C10H14O4 and a molecular weight of 198.22 g/mol. Its IUPAC name is 7-hydroxy-5-methyl-4,11-dioxabicyclo[6.2.1]undec-9-en-3-one.

Molecular Properties

Compound Name7-hydroxy-5-methyl-4,11-dioxabicyclo[6.2.1]undec-9-en-3-one
PubChem CID10262130
Molecular FormulaC10H14O4
Molecular Weight198.22 g/mol
Exact Mass198.09
IUPAC Name7-hydroxy-5-methyl-4,11-dioxabicyclo[6.2.1]undec-9-en-3-one
SMILESCC1CC(O)C2C=CC(CC(=O)O1)O2
InChIInChI=1S/C10H14O4/c1-6-4-8(11)9-3-2-7(14-9)5-10(12)13-6/h2-3,6-9,11H,4-5H2,1H3
InChIKeyBTLWKUIXHYMYIL-UHFFFAOYSA-N
XLogP0.40
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.22
LogP ≤ 50.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

7Alpha-Acetoxymultiplolide A
CID 24850147
Botryolides B
CID 24773313
8Alpha-Acetoxymultiplolide A
CID 24862056
Botryolide E
CID 53324482
Multiplolide A
CID 24879663
Gsxxkilaeilyrx-oisazyhwsa-
CID 10353178
Botryolide B
CID 96325999
Phomolide H
CID 102227123
(1S,5S,9E,11S,14S)-14-hydroxy-5-methyl-4,15-dioxabicyclo(9.3.1)pentadeca-9,12-dien-3-one
CID 24766620
6,7-Dihydroxy-4-methyl-3,11-dioxabicyclo[8.1.0]undec-8-en-2-one
CID 74342909
14-Hydroxy-5-methyl-4,15-dioxabicyclo[9.3.1]pentadeca-9,12-dien-3-one
CID 162870168
Decarestrictine A1
CID 24773314

Frequently Asked Questions

What is the IUPAC name of 7-hydroxy-5-methyl-4,11-dioxabicyclo[6.2.1]undec-9-en-3-one?
The IUPAC name of 7-hydroxy-5-methyl-4,11-dioxabicyclo[6.2.1]undec-9-en-3-one (CID 10262130) is 7-hydroxy-5-methyl-4,11-dioxabicyclo[6.2.1]undec-9-en-3-one.
What is the SMILES notation for 7-hydroxy-5-methyl-4,11-dioxabicyclo[6.2.1]undec-9-en-3-one?
The canonical SMILES for 7-hydroxy-5-methyl-4,11-dioxabicyclo[6.2.1]undec-9-en-3-one is CC1CC(O)C2C=CC(CC(=O)O1)O2.
What is the InChIKey of 7-hydroxy-5-methyl-4,11-dioxabicyclo[6.2.1]undec-9-en-3-one?
The InChIKey is BTLWKUIXHYMYIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O4/c1-6-4-8(11)9-3-2-7(14-9)5-10(12)13-6/h2-3,6-9,11H,4-5H2,1H3.
What are the key properties of 7-hydroxy-5-methyl-4,11-dioxabicyclo[6.2.1]undec-9-en-3-one?
7-hydroxy-5-methyl-4,11-dioxabicyclo[6.2.1]undec-9-en-3-one has a molecular weight of 198.22 g/mol, XLogP of 0.40, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-hydroxy-5-methyl-4,11-dioxabicyclo[6.2.1]undec-9-en-3-one is sourced from PubChem (CID 10262130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).