(1R,6R)-7-propan-2-ylidenebicyclo[4.2.0]octane

C11H18 — CID 10012084

IUPAC(1R,6R)-7-propan-2-ylidenebicyclo[4.2.0]octane
SMILESCC(C)=C1C[C@H]2CCCC[C@@H]12
InChIInChI=1S/C11H18/c1-8(2)11-7-9-5-3-4-6-10(9)11/h9-10H,3-7H2,1-2H3/t9-,10-/m1/s1
InChIKeyNFIGFSNOJKLHEF-NXEZZACHSA-N
MW150.26 g/mol
LogP3.53
Rot. Bonds

About (1R,6R)-7-propan-2-ylidenebicyclo[4.2.0]octane

(1R,6R)-7-propan-2-ylidenebicyclo[4.2.0]octane (PubChem CID 10012084) has the molecular formula C11H18 and a molecular weight of 150.26 g/mol. Its IUPAC name is (1R,6R)-7-propan-2-ylidenebicyclo[4.2.0]octane.

Molecular Properties

Compound Name(1R,6R)-7-propan-2-ylidenebicyclo[4.2.0]octane
PubChem CID10012084
Molecular FormulaC11H18
Molecular Weight150.26 g/mol
Exact Mass150.14
IUPAC Name(1R,6R)-7-propan-2-ylidenebicyclo[4.2.0]octane
SMILESCC(C)=C1C[C@H]2CCCC[C@@H]12
InChIInChI=1S/C11H18/c1-8(2)11-7-9-5-3-4-6-10(9)11/h9-10H,3-7H2,1-2H3/t9-,10-/m1/s1
InChIKeyNFIGFSNOJKLHEF-NXEZZACHSA-N
XLogP3.53
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.26
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-cycloheptyl-2-propan-2-ylidenecycloheptane
CID 21463896
(1R,13R)-bicyclo[11.2.0]pentadecan-14-one
CID 24895078
ethyl (2E)-2-[(1S,6S)-7-bicyclo[4.2.0]octanylidene]-2-cyanoacetate
CID 59077299
(1S,5S)-bicyclo[3.2.0]heptan-6-one;(1R,5R)-bicyclo[3.2.0]heptan-6-one
CID 161069334
1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;λ2-plumbane
CID 173135911
2-[(4aS,8aS)-3,4,4a,5,6,7,8,8a-octahydro-2H-naphthalen-1-ylidene]propanedinitrile
CID 91697608
4,5-dicyclohexyl-2-propan-2-ylidene-1,3-dioxolane
CID 174373573
3a,4,5,6,7,7a-hexahydro-2-benzofuran-1,3-dione;acetic acid
CID 144775444
(1R,7R)-4-oxabicyclo[5.5.0]dodecane-2,5-dione
CID 11287061
1-methyl-2-propan-2-ylidenecyclopentane
CID 57092492
3,4,4a,5,7,8,9,9a-octahydro-2H-benzo[7]annulene-1,6-dione
CID 13403967
acetic acid;cyclohexylcyclohexane
CID 67293698

Frequently Asked Questions

What is the IUPAC name of (1R,6R)-7-propan-2-ylidenebicyclo[4.2.0]octane?
The IUPAC name of (1R,6R)-7-propan-2-ylidenebicyclo[4.2.0]octane (CID 10012084) is (1R,6R)-7-propan-2-ylidenebicyclo[4.2.0]octane.
What is the SMILES notation for (1R,6R)-7-propan-2-ylidenebicyclo[4.2.0]octane?
The canonical SMILES for (1R,6R)-7-propan-2-ylidenebicyclo[4.2.0]octane is CC(C)=C1C[C@H]2CCCC[C@@H]12.
What is the InChIKey of (1R,6R)-7-propan-2-ylidenebicyclo[4.2.0]octane?
The InChIKey is NFIGFSNOJKLHEF-NXEZZACHSA-N. The full InChI is InChI=1S/C11H18/c1-8(2)11-7-9-5-3-4-6-10(9)11/h9-10H,3-7H2,1-2H3/t9-,10-/m1/s1.
What are the key properties of (1R,6R)-7-propan-2-ylidenebicyclo[4.2.0]octane?
(1R,6R)-7-propan-2-ylidenebicyclo[4.2.0]octane has a molecular weight of 150.26 g/mol, XLogP of 3.53, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,6R)-7-propan-2-ylidenebicyclo[4.2.0]octane is sourced from PubChem (CID 10012084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).