(1R,2R,4S,8S)-tricyclo[6.1.0.02,4]nonane

C9H14 — CID 10964484

IUPAC(1R,2R,4S,8S)-tricyclo[6.1.0.02,4]nonane
SMILESC1C[C@H]2C[C@H]2[C@@H]2C[C@@H]2C1
InChIInChI=1S/C9H14/c1-2-6-4-8(6)9-5-7(9)3-1/h6-9H,1-5H2/t6-,7-,8+,9+/m0/s1
InChIKeyUUVWYZVMXOZWNF-RBXMUDONSA-N
MW122.21 g/mol
LogP2.44
Rot. Bonds

About (1R,2R,4S,8S)-tricyclo[6.1.0.02,4]nonane

(1R,2R,4S,8S)-tricyclo[6.1.0.02,4]nonane (PubChem CID 10964484) has the molecular formula C9H14 and a molecular weight of 122.21 g/mol. Its IUPAC name is (1R,2R,4S,8S)-tricyclo[6.1.0.02,4]nonane.

Molecular Properties

Compound Name(1R,2R,4S,8S)-tricyclo[6.1.0.02,4]nonane
PubChem CID10964484
Molecular FormulaC9H14
Molecular Weight122.21 g/mol
Exact Mass122.11
IUPAC Name(1R,2R,4S,8S)-tricyclo[6.1.0.02,4]nonane
SMILESC1C[C@H]2C[C@H]2[C@@H]2C[C@@H]2C1
InChIInChI=1S/C9H14/c1-2-6-4-8(6)9-5-7(9)3-1/h6-9H,1-5H2/t6-,7-,8+,9+/m0/s1
InChIKeyUUVWYZVMXOZWNF-RBXMUDONSA-N
XLogP2.44
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.21
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

(6R)-2-methylbicyclo[4.1.0]heptane
CID 143188107
tetracyclo[6.3.1.02,6.010,12]dodecane
CID 146743747
tricyclo[4.4.0.02,8]decane
CID 585864
nonacyclo[17.2.0.02,5.03,21.04,7.06,9.08,11.010,13.012,15]henicosane
CID 20700610
tetracyclo[8.2.1.02,9.03,7]tridecane
CID 117070325
2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluorene
CID 21972
(7S)-tricyclo[5.2.1.02,6]decane
CID 154529079
tricyclo[11.3.0.05,9]hexadecane
CID 154595560
(1S,2R,6R)-2-(dibromomethyl)bicyclo[4.1.0]heptane
CID 101447232
1,2,3-trimethyl-1,2,3,3a,4,4a,5,6,7,7a,8,8a-dodecahydro-s-indacene
CID 59883784
(3aR)-4-fluoro-1,2,3,3a,4,4a,5,6,7,7a,8,8a-dodecahydro-s-indacene
CID 135252320
ethane;tricyclo[4.4.0.02,8]decane
CID 91556011

Frequently Asked Questions

What is the IUPAC name of (1R,2R,4S,8S)-tricyclo[6.1.0.02,4]nonane?
The IUPAC name of (1R,2R,4S,8S)-tricyclo[6.1.0.02,4]nonane (CID 10964484) is (1R,2R,4S,8S)-tricyclo[6.1.0.02,4]nonane.
What is the SMILES notation for (1R,2R,4S,8S)-tricyclo[6.1.0.02,4]nonane?
The canonical SMILES for (1R,2R,4S,8S)-tricyclo[6.1.0.02,4]nonane is C1C[C@H]2C[C@H]2[C@@H]2C[C@@H]2C1.
What is the InChIKey of (1R,2R,4S,8S)-tricyclo[6.1.0.02,4]nonane?
The InChIKey is UUVWYZVMXOZWNF-RBXMUDONSA-N. The full InChI is InChI=1S/C9H14/c1-2-6-4-8(6)9-5-7(9)3-1/h6-9H,1-5H2/t6-,7-,8+,9+/m0/s1.
What are the key properties of (1R,2R,4S,8S)-tricyclo[6.1.0.02,4]nonane?
(1R,2R,4S,8S)-tricyclo[6.1.0.02,4]nonane has a molecular weight of 122.21 g/mol, XLogP of 2.44, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,4S,8S)-tricyclo[6.1.0.02,4]nonane is sourced from PubChem (CID 10964484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).