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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Related Compounds

(1S,3R,6S,8S)-tricyclo[4.2.1.03,8]nonan-2-one
CID 139323023
(1R,4R,6S,9R)-tetracyclo[7.2.1.04,11.06,10]dodecane-5,12-dione
CID 97047562
(1S,4S,6R,9S)-tetracyclo[7.2.1.04,11.06,10]dodecane-5,12-dione
CID 124527531
(1S,3R,5S,7S)-tricyclo[5.1.0.03,5]octane-2,6-dione
CID 98164011
2,3,3a,4a,5,6,7,8,8a,8b-decahydro-1H-cyclopenta[a]inden-4-one
CID 154595410
2,16-ditert-butylheptacyclo[15.11.0.03,15.05,13.06,11.019,27.020,25]octacosane-12,26-dione
CID 123885939
(1S,2R,4R,5R)-6,7-dimethylidenetricyclo[3.2.2.02,4]nonane
CID 50919070
(1R,2R,3S,4S)-2,3-difluorobicyclo[2.2.1]heptan-7-one
CID 100961369
tricyclo[5.3.1.12,6]dodecane-11,12-dione
CID 605937
3,3-dimethyltricyclo[5.2.1.02,6]decan-10-one
CID 57356409
tricyclo[5.4.0.02,9]undecane-3,8-dione
CID 130029184
tetracyclo[6.5.1.02,7.09,13]tetradecan-11-one
CID 58165480

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).