bicyclo[5.3.1]undeca-1(10),8-dien-11-one

C11H14O — CID 11041024

IUPACbicyclo[5.3.1]undeca-1(10),8-dien-11-one
SMILESO=C1C2=CC=CC1CCCCC2
InChIInChI=1S/C11H14O/c12-11-9-5-2-1-3-6-10(11)8-4-7-9/h4,7-9H,1-3,5-6H2
InChIKeyNYXSAHKBGGHSAX-UHFFFAOYSA-N
MW162.23 g/mol
LogP2.63
Rot. Bonds

About bicyclo[5.3.1]undeca-1(10),8-dien-11-one

bicyclo[5.3.1]undeca-1(10),8-dien-11-one (PubChem CID 11041024) has the molecular formula C11H14O and a molecular weight of 162.23 g/mol. Its IUPAC name is bicyclo[5.3.1]undeca-1(10),8-dien-11-one.

Molecular Properties

Compound Namebicyclo[5.3.1]undeca-1(10),8-dien-11-one
PubChem CID11041024
Molecular FormulaC11H14O
Molecular Weight162.23 g/mol
Exact Mass162.10
IUPAC Namebicyclo[5.3.1]undeca-1(10),8-dien-11-one
SMILESO=C1C2=CC=CC1CCCCC2
InChIInChI=1S/C11H14O/c12-11-9-5-2-1-3-6-10(11)8-4-7-9/h4,7-9H,1-3,5-6H2
InChIKeyNYXSAHKBGGHSAX-UHFFFAOYSA-N
XLogP2.63
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.23
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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tricyclo[9.3.0.03,7]tetradeca-1(14),4,6,12-tetraene
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3-methylcyclooctan-1-one
CID 12892221
(5S,7R)-tetracyclo[9.2.1.05,13.07,12]tetradeca-1,3,8,10,12-pentaen-6-one
CID 102398309
7-hydroxycyclododecan-1-one
CID 130125137
6-hydroxycyclododecan-1-one
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1-cyclodeca-1,3-dien-1-ylcyclodeca-1,3-diene
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cyclotricosanone
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Frequently Asked Questions

What is the IUPAC name of bicyclo[5.3.1]undeca-1(10),8-dien-11-one?
The IUPAC name of bicyclo[5.3.1]undeca-1(10),8-dien-11-one (CID 11041024) is bicyclo[5.3.1]undeca-1(10),8-dien-11-one.
What is the SMILES notation for bicyclo[5.3.1]undeca-1(10),8-dien-11-one?
The canonical SMILES for bicyclo[5.3.1]undeca-1(10),8-dien-11-one is O=C1C2=CC=CC1CCCCC2.
What is the InChIKey of bicyclo[5.3.1]undeca-1(10),8-dien-11-one?
The InChIKey is NYXSAHKBGGHSAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O/c12-11-9-5-2-1-3-6-10(11)8-4-7-9/h4,7-9H,1-3,5-6H2.
What are the key properties of bicyclo[5.3.1]undeca-1(10),8-dien-11-one?
bicyclo[5.3.1]undeca-1(10),8-dien-11-one has a molecular weight of 162.23 g/mol, XLogP of 2.63, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for bicyclo[5.3.1]undeca-1(10),8-dien-11-one is sourced from PubChem (CID 11041024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).