(1S,2R,4R,5R)-6,7-dimethylidenetricyclo[3.2.2.02,4]nonane

C11H14 — CID 50919070

IUPAC(1S,2R,4R,5R)-6,7-dimethylidenetricyclo[3.2.2.02,4]nonane
SMILESC=C1C(=C)[C@@H]2CC[C@H]1[C@@H]1C[C@H]12
InChIInChI=1S/C11H14/c1-6-7(2)9-4-3-8(6)10-5-11(9)10/h8-11H,1-5H2/t8-,9+,10-,11-/m0/s1
InChIKeyVFIRWPMSWCNRKH-VLEAKVRGSA-N
MW146.23 g/mol
LogP2.77
Rot. Bonds

About (1S,2R,4R,5R)-6,7-dimethylidenetricyclo[3.2.2.02,4]nonane

(1S,2R,4R,5R)-6,7-dimethylidenetricyclo[3.2.2.02,4]nonane (PubChem CID 50919070) has the molecular formula C11H14 and a molecular weight of 146.23 g/mol. Its IUPAC name is (1S,2R,4R,5R)-6,7-dimethylidenetricyclo[3.2.2.02,4]nonane.

Molecular Properties

Compound Name(1S,2R,4R,5R)-6,7-dimethylidenetricyclo[3.2.2.02,4]nonane
PubChem CID50919070
Molecular FormulaC11H14
Molecular Weight146.23 g/mol
Exact Mass146.11
IUPAC Name(1S,2R,4R,5R)-6,7-dimethylidenetricyclo[3.2.2.02,4]nonane
SMILESC=C1C(=C)[C@@H]2CC[C@H]1[C@@H]1C[C@H]12
InChIInChI=1S/C11H14/c1-6-7(2)9-4-3-8(6)10-5-11(9)10/h8-11H,1-5H2/t8-,9+,10-,11-/m0/s1
InChIKeyVFIRWPMSWCNRKH-VLEAKVRGSA-N
XLogP2.77
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.23
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

8,9-dimethylidenetricyclo[5.2.1.02,6]decane
CID 15046958
tetracyclo[6.2.1.02,4.05,7]undecan-11-one
CID 130036613
(1S,4S)-2,3-dimethylidenebicyclo[2.2.1]heptane
CID 50919081
6-methylidenetricyclo[3.2.0.02,7]heptane
CID 147299494
4-methyl-7,8-dimethylidene-1,2,3,4,4a,5,6,8a-octahydronaphthalene
CID 123973221
(3S,5R)-4-methylidenetricyclo[3.2.1.03,6]octane
CID 160552073
4,12-dimethylidenehexacyclo[6.6.1.13,6.110,13.02,7.09,14]heptadecane
CID 100957909
6-cyclopropyl-2-methylidenebicyclo[3.2.0]heptane
CID 163850995
(1R,2R,4S)-6-methylidenebicyclo[2.2.2]octan-2-ol
CID 13196985
(1R,2R,6S)-5-methylidenebicyclo[4.1.0]heptan-2-ol
CID 102076041
2-methyl-5,8-dimethylidene-1,2,3,4,4a,6,7,8a-octahydronaphthalene
CID 123885670
3-methyl-8-methylidenebicyclo[3.2.1]octane
CID 90879881

Frequently Asked Questions

What is the IUPAC name of (1S,2R,4R,5R)-6,7-dimethylidenetricyclo[3.2.2.02,4]nonane?
The IUPAC name of (1S,2R,4R,5R)-6,7-dimethylidenetricyclo[3.2.2.02,4]nonane (CID 50919070) is (1S,2R,4R,5R)-6,7-dimethylidenetricyclo[3.2.2.02,4]nonane.
What is the SMILES notation for (1S,2R,4R,5R)-6,7-dimethylidenetricyclo[3.2.2.02,4]nonane?
The canonical SMILES for (1S,2R,4R,5R)-6,7-dimethylidenetricyclo[3.2.2.02,4]nonane is C=C1C(=C)[C@@H]2CC[C@H]1[C@@H]1C[C@H]12.
What is the InChIKey of (1S,2R,4R,5R)-6,7-dimethylidenetricyclo[3.2.2.02,4]nonane?
The InChIKey is VFIRWPMSWCNRKH-VLEAKVRGSA-N. The full InChI is InChI=1S/C11H14/c1-6-7(2)9-4-3-8(6)10-5-11(9)10/h8-11H,1-5H2/t8-,9+,10-,11-/m0/s1.
What are the key properties of (1S,2R,4R,5R)-6,7-dimethylidenetricyclo[3.2.2.02,4]nonane?
(1S,2R,4R,5R)-6,7-dimethylidenetricyclo[3.2.2.02,4]nonane has a molecular weight of 146.23 g/mol, XLogP of 2.77, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R,4R,5R)-6,7-dimethylidenetricyclo[3.2.2.02,4]nonane is sourced from PubChem (CID 50919070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).