(5S,6S)-tricyclo[4.3.0.01,5]nonane

C9H14 — CID 144518883

IUPAC(5S,6S)-tricyclo[4.3.0.01,5]nonane
SMILESC1C[C@H]2[C@@H]3CCCC23C1
InChIInChI=1S/C9H14/c1-3-7-8-4-2-6-9(7,8)5-1/h7-8H,1-6H2/t7-,8-,9?/m0/s1
InChIKeyHBLOCEVHUDYUJP-JVIMKECRSA-N
MW122.21 g/mol
LogP2.59
Rot. Bonds

About (5S,6S)-tricyclo[4.3.0.01,5]nonane

(5S,6S)-tricyclo[4.3.0.01,5]nonane (PubChem CID 144518883) has the molecular formula C9H14 and a molecular weight of 122.21 g/mol. Its IUPAC name is (5S,6S)-tricyclo[4.3.0.01,5]nonane.

Molecular Properties

Compound Name(5S,6S)-tricyclo[4.3.0.01,5]nonane
PubChem CID144518883
Molecular FormulaC9H14
Molecular Weight122.21 g/mol
Exact Mass122.11
IUPAC Name(5S,6S)-tricyclo[4.3.0.01,5]nonane
SMILESC1C[C@H]2[C@@H]3CCCC23C1
InChIInChI=1S/C9H14/c1-3-7-8-4-2-6-9(7,8)5-1/h7-8H,1-6H2/t7-,8-,9?/m0/s1
InChIKeyHBLOCEVHUDYUJP-JVIMKECRSA-N
XLogP2.59
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 ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

(5R)-tricyclo[3.2.0.01,6]heptane
CID 163731431
3-methyltricyclo[3.3.0.01,4]octane
CID 123792229
(1-methyl-6-bicyclo[3.1.0]hexanyl)methanol
CID 67940107
(4R)-spiro[4.4]nonane-4,9-diamine
CID 67207240
(4R,9R)-spiro[4.4]nonane-4,9-diamine
CID 45098389
1,6-dimethylbicyclo[3.1.0]hexane;methane
CID 173302897
(4S,5R)-spiro[4.5]decane-4,10-diol
CID 135069767
(4S,5R,10R)-spiro[4.5]decane-4,10-diol
CID 14934378
(4S,7aS)-7a-methyl-1,2,3,3a,4,5,6,7-octahydroinden-4-ol
CID 143298757
azane;1,6-dimethylbicyclo[3.1.0]hexane;hydrochloride
CID 174569895
(4S,5R,12R)-spiro[4.7]dodecane-4,12-diol
CID 11127251
3,3-dimethyltricyclo[4.4.0.01,5]decan-4-one
CID 130029675

Frequently Asked Questions

What is the IUPAC name of (5S,6S)-tricyclo[4.3.0.01,5]nonane?
The IUPAC name of (5S,6S)-tricyclo[4.3.0.01,5]nonane (CID 144518883) is (5S,6S)-tricyclo[4.3.0.01,5]nonane.
What is the SMILES notation for (5S,6S)-tricyclo[4.3.0.01,5]nonane?
The canonical SMILES for (5S,6S)-tricyclo[4.3.0.01,5]nonane is C1C[C@H]2[C@@H]3CCCC23C1.
What is the InChIKey of (5S,6S)-tricyclo[4.3.0.01,5]nonane?
The InChIKey is HBLOCEVHUDYUJP-JVIMKECRSA-N. The full InChI is InChI=1S/C9H14/c1-3-7-8-4-2-6-9(7,8)5-1/h7-8H,1-6H2/t7-,8-,9?/m0/s1.
What are the key properties of (5S,6S)-tricyclo[4.3.0.01,5]nonane?
(5S,6S)-tricyclo[4.3.0.01,5]nonane has a molecular weight of 122.21 g/mol, XLogP of 2.59, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (5S,6S)-tricyclo[4.3.0.01,5]nonane is sourced from PubChem (CID 144518883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).