tricyclo[5.3.0.02,5]decane

C10H16 — CID 20688147

IUPACtricyclo[5.3.0.02,5]decane
SMILESC1CC2CC3CCC3C2C1
InChIInChI=1S/C10H16/c1-2-7-6-8-4-5-10(8)9(7)3-1/h7-10H,1-6H2
InChIKeyPDZHXRXHUDFRNE-UHFFFAOYSA-N
MW136.24 g/mol
LogP2.83
Rot. Bonds

About tricyclo[5.3.0.02,5]decane

tricyclo[5.3.0.02,5]decane (PubChem CID 20688147) has the molecular formula C10H16 and a molecular weight of 136.24 g/mol. Its IUPAC name is tricyclo[5.3.0.02,5]decane.

Molecular Properties

Compound Nametricyclo[5.3.0.02,5]decane
PubChem CID20688147
Molecular FormulaC10H16
Molecular Weight136.24 g/mol
Exact Mass136.13
IUPAC Nametricyclo[5.3.0.02,5]decane
SMILESC1CC2CC3CCC3C2C1
InChIInChI=1S/C10H16/c1-2-7-6-8-4-5-10(8)9(7)3-1/h7-10H,1-6H2
InChIKeyPDZHXRXHUDFRNE-UHFFFAOYSA-N
XLogP2.83
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.24
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

Octahydro-1-methylpentalene
CID 36099
Octahydro-2-methylpentalene
CID 557010
Cyclobutadicyclopentene, decahydro
CID 521735
Tricyclo[4.1.1.0(2,5)]octane
CID 556248
Octahydrocyclobuta[c]pentalene
CID 565018
(2R,5S)-tricyclo[4.1.1.02,5]octane
CID 638061
4,7-Methanoazulene, decahydro-
CID 142805
2,5-Dimethyloctahydropentalene
CID 557191
(2S,6R)-tricyclo[5.1.1.02,6]nonane
CID 638062
(3aR,6aR)-2-methyl-1,2,3,3a,4,5,6,6a-octahydropentalene
CID 12701549
(9R)-9-fluorotricyclo[5.3.0.02,5]decane
CID 130269175
(8S)-8-(trifluoromethyl)tricyclo[5.3.0.02,5]decane
CID 163822352

Frequently Asked Questions

What is the IUPAC name of tricyclo[5.3.0.02,5]decane?
The IUPAC name of tricyclo[5.3.0.02,5]decane (CID 20688147) is tricyclo[5.3.0.02,5]decane.
What is the SMILES notation for tricyclo[5.3.0.02,5]decane?
The canonical SMILES for tricyclo[5.3.0.02,5]decane is C1CC2CC3CCC3C2C1.
What is the InChIKey of tricyclo[5.3.0.02,5]decane?
The InChIKey is PDZHXRXHUDFRNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16/c1-2-7-6-8-4-5-10(8)9(7)3-1/h7-10H,1-6H2.
What are the key properties of tricyclo[5.3.0.02,5]decane?
tricyclo[5.3.0.02,5]decane has a molecular weight of 136.24 g/mol, XLogP of 2.83, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tricyclo[5.3.0.02,5]decane is sourced from PubChem (CID 20688147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).