tetracyclo[6.2.1.02,4.05,7]undecan-11-one

C11H14O — CID 130036613

IUPACtetracyclo[6.2.1.02,4.05,7]undecan-11-one
SMILESO=C1C2CCC1C1CC1C1CC21
InChIInChI=1S/C11H14O/c12-11-5-1-2-6(11)8-4-10(8)9-3-7(5)9/h5-10H,1-4H2
InChIKeyWSGFTNOXJKZGJR-UHFFFAOYSA-N
MW162.23 g/mol
LogP1.87
Rot. Bonds

About tetracyclo[6.2.1.02,4.05,7]undecan-11-one

tetracyclo[6.2.1.02,4.05,7]undecan-11-one (PubChem CID 130036613) has the molecular formula C11H14O and a molecular weight of 162.23 g/mol. Its IUPAC name is tetracyclo[6.2.1.02,4.05,7]undecan-11-one.

Molecular Properties

Compound Nametetracyclo[6.2.1.02,4.05,7]undecan-11-one
PubChem CID130036613
Molecular FormulaC11H14O
Molecular Weight162.23 g/mol
Exact Mass162.10
IUPAC Nametetracyclo[6.2.1.02,4.05,7]undecan-11-one
SMILESO=C1C2CCC1C1CC1C1CC21
InChIInChI=1S/C11H14O/c12-11-5-1-2-6(11)8-4-10(8)9-3-7(5)9/h5-10H,1-4H2
InChIKeyWSGFTNOXJKZGJR-UHFFFAOYSA-N
XLogP1.87
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 ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cycloheptane_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tetracyclo[6.2.1.02,4.05,7]undecan-11-one?
The IUPAC name of tetracyclo[6.2.1.02,4.05,7]undecan-11-one (CID 130036613) is tetracyclo[6.2.1.02,4.05,7]undecan-11-one.
What is the SMILES notation for tetracyclo[6.2.1.02,4.05,7]undecan-11-one?
The canonical SMILES for tetracyclo[6.2.1.02,4.05,7]undecan-11-one is O=C1C2CCC1C1CC1C1CC21.
What is the InChIKey of tetracyclo[6.2.1.02,4.05,7]undecan-11-one?
The InChIKey is WSGFTNOXJKZGJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O/c12-11-5-1-2-6(11)8-4-10(8)9-3-7(5)9/h5-10H,1-4H2.
What are the key properties of tetracyclo[6.2.1.02,4.05,7]undecan-11-one?
tetracyclo[6.2.1.02,4.05,7]undecan-11-one has a molecular weight of 162.23 g/mol, XLogP of 1.87, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tetracyclo[6.2.1.02,4.05,7]undecan-11-one is sourced from PubChem (CID 130036613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).