(1S,2S,4S,5S)-tricyclo[3.2.1.02,4]octane

C8H12 — CID 124938048

IUPAC(1S,2S,4S,5S)-tricyclo[3.2.1.02,4]octane
SMILESC1C[C@H]2C[C@H]1[C@@H]1C[C@@H]21
InChIInChI=1S/C8H12/c1-2-6-3-5(1)7-4-8(6)7/h5-8H,1-4H2/t5-,6-,7-,8-/m0/s1
InChIKeyPSZPCAFRANQPLS-XAMCCFCMSA-N
MW108.18 g/mol
LogP2.05
Rot. Bonds

About (1S,2S,4S,5S)-tricyclo[3.2.1.02,4]octane

(1S,2S,4S,5S)-tricyclo[3.2.1.02,4]octane (PubChem CID 124938048) has the molecular formula C8H12 and a molecular weight of 108.18 g/mol. Its IUPAC name is (1S,2S,4S,5S)-tricyclo[3.2.1.02,4]octane.

Molecular Properties

Compound Name(1S,2S,4S,5S)-tricyclo[3.2.1.02,4]octane
PubChem CID124938048
Molecular FormulaC8H12
Molecular Weight108.18 g/mol
Exact Mass108.09
IUPAC Name(1S,2S,4S,5S)-tricyclo[3.2.1.02,4]octane
SMILESC1C[C@H]2C[C@H]1[C@@H]1C[C@@H]21
InChIInChI=1S/C8H12/c1-2-6-3-5(1)7-4-8(6)7/h5-8H,1-4H2/t5-,6-,7-,8-/m0/s1
InChIKeyPSZPCAFRANQPLS-XAMCCFCMSA-N
XLogP2.05
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500108.18
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

(4S,5S)-tricyclo[6.2.1.02,7]undecane-4,5-diol
CID 166987475
tricyclo[3.3.0.02,7]octane
CID 13112141
ethane;pentacyclo[9.2.1.14,7.02,10.03,8]pentadecane
CID 91554389
(7S)-tricyclo[5.2.1.02,6]decane
CID 154529079
(2R,6R)-tricyclo[4.2.1.12,5]decane
CID 134081586
(1R,3R,6R,8R)-tricyclo[4.4.0.03,8]decane
CID 91618084
pentacyclo[6.4.1.02,6.03,13.05,11]tridecane
CID 163947804
2-(2-bicyclo[2.2.0]hexanyl)bicyclo[3.1.0]hexane
CID 152868631
(1S,2S,6R,7R)-4-oxatricyclo[5.2.1.02,6]decane
CID 58077971
tricyclo[4.4.0.02,8]decane
CID 585864
tetracyclo[6.6.2.22,7.19,14]nonadecane
CID 123381567
(1S,7R)-4-azatricyclo[5.2.1.02,6]decane
CID 55254914

Frequently Asked Questions

What is the IUPAC name of (1S,2S,4S,5S)-tricyclo[3.2.1.02,4]octane?
The IUPAC name of (1S,2S,4S,5S)-tricyclo[3.2.1.02,4]octane (CID 124938048) is (1S,2S,4S,5S)-tricyclo[3.2.1.02,4]octane.
What is the SMILES notation for (1S,2S,4S,5S)-tricyclo[3.2.1.02,4]octane?
The canonical SMILES for (1S,2S,4S,5S)-tricyclo[3.2.1.02,4]octane is C1C[C@H]2C[C@H]1[C@@H]1C[C@@H]21.
What is the InChIKey of (1S,2S,4S,5S)-tricyclo[3.2.1.02,4]octane?
The InChIKey is PSZPCAFRANQPLS-XAMCCFCMSA-N. The full InChI is InChI=1S/C8H12/c1-2-6-3-5(1)7-4-8(6)7/h5-8H,1-4H2/t5-,6-,7-,8-/m0/s1.
What are the key properties of (1S,2S,4S,5S)-tricyclo[3.2.1.02,4]octane?
(1S,2S,4S,5S)-tricyclo[3.2.1.02,4]octane has a molecular weight of 108.18 g/mol, XLogP of 2.05, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S,4S,5S)-tricyclo[3.2.1.02,4]octane is sourced from PubChem (CID 124938048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).