(2S,6S,8S)-pentacyclo[3.3.0.02,4.03,7.06,8]octane

C8H8 — CID 137323682

IUPAC(2S,6S,8S)-pentacyclo[3.3.0.02,4.03,7.06,8]octane
SMILESC12C3C1C1C4C1C3C24
InChIInChI=1S/C8H8/c1-2-5(1)6-3-4(6)8(2)7(1)3/h1-8H
InChIKeyYIJMEXRVJPVGIY-UHFFFAOYSA-N
MW104.15 g/mol
LogP0.98
Rot. Bonds

About (2S,6S,8S)-pentacyclo[3.3.0.02,4.03,7.06,8]octane

(2S,6S,8S)-pentacyclo[3.3.0.02,4.03,7.06,8]octane (PubChem CID 137323682) has the molecular formula C8H8 and a molecular weight of 104.15 g/mol. Its IUPAC name is (2S,6S,8S)-pentacyclo[3.3.0.02,4.03,7.06,8]octane.

Molecular Properties

Compound Name(2S,6S,8S)-pentacyclo[3.3.0.02,4.03,7.06,8]octane
PubChem CID137323682
Molecular FormulaC8H8
Molecular Weight104.15 g/mol
Exact Mass104.06
IUPAC Name(2S,6S,8S)-pentacyclo[3.3.0.02,4.03,7.06,8]octane
SMILESC12C3C1C1C4C1C3C24
InChIInChI=1S/C8H8/c1-2-5(1)6-3-4(6)8(2)7(1)3/h1-8H
InChIKeyYIJMEXRVJPVGIY-UHFFFAOYSA-N
XLogP0.98
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500104.15
LogP ≤ 50.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

octacyclo[6.6.0.02,7.03,6.04,12.05,11.09,14.010,13]tetradecane
CID 71363415
cubane;ethane
CID 163673038
(1S,2R,3R,4S,5R,6S,7R,8S,9R,10S)-6,10-diiodopentacyclo[5.3.0.02,5.03,9.04,8]decane
CID 98555283
osmium-192
CID 131708380
heptadecacyclo[18.16.0.02,19.03,18.04,17.05,16.06,15.07,14.08,13.09,12.021,36.022,35.023,34.024,33.025,32.026,31.027,30]hexatriacontane
CID 20663352
5-oxahexacyclo[5.4.0.02,11.03,9.04,6.08,10]undecane
CID 13056304
(3R,4S,6R,7S,8S,9S,11S,12S)-5,10-dioxahexacyclo[6.4.0.02,7.03,12.04,6.09,11]dodecane
CID 99954925
2,4,6,7,9,11,13,15,16,28-decamethyldecacyclo[15.10.1.03,25.05,24.08,23.010,22.012,20.014,19.018,27.021,26]octacosane
CID 58453423
butane;methane;tricyclo[1.1.0.02,4]butane
CID 161341800
(12S)-octacyclo[8.8.0.02,9.03,8.04,7.011,18.012,17.013,16]octadecane
CID 59762682
pentacyclo[4.4.0.02,8.03,5.04,7]decane
CID 90487238
2,4,6,7,8-pentamethyltricyclo[3.3.1.03,9]nonane
CID 123787796

Frequently Asked Questions

What is the IUPAC name of (2S,6S,8S)-pentacyclo[3.3.0.02,4.03,7.06,8]octane?
The IUPAC name of (2S,6S,8S)-pentacyclo[3.3.0.02,4.03,7.06,8]octane (CID 137323682) is (2S,6S,8S)-pentacyclo[3.3.0.02,4.03,7.06,8]octane.
What is the SMILES notation for (2S,6S,8S)-pentacyclo[3.3.0.02,4.03,7.06,8]octane?
The canonical SMILES for (2S,6S,8S)-pentacyclo[3.3.0.02,4.03,7.06,8]octane is C12C3C1C1C4C1C3C24.
What is the InChIKey of (2S,6S,8S)-pentacyclo[3.3.0.02,4.03,7.06,8]octane?
The InChIKey is YIJMEXRVJPVGIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8/c1-2-5(1)6-3-4(6)8(2)7(1)3/h1-8H.
What are the key properties of (2S,6S,8S)-pentacyclo[3.3.0.02,4.03,7.06,8]octane?
(2S,6S,8S)-pentacyclo[3.3.0.02,4.03,7.06,8]octane has a molecular weight of 104.15 g/mol, XLogP of 0.98, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,6S,8S)-pentacyclo[3.3.0.02,4.03,7.06,8]octane is sourced from PubChem (CID 137323682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).