(5S)-bicyclo[3.2.1]oct-1(8)-ene

C8H12 — CID 154518637

IUPAC(5S)-bicyclo[3.2.1]oct-1(8)-ene
SMILESC1=C2CCC[C@H]1CC2
InChIInChI=1S/C8H12/c1-2-7-4-5-8(3-1)6-7/h6-7H,1-5H2/t7-/m0/s1
InChIKeyMBFPHWDWJOOHMO-ZETCQYMHSA-N
MW108.18 g/mol
LogP2.51
Rot. Bonds

About (5S)-bicyclo[3.2.1]oct-1(8)-ene

(5S)-bicyclo[3.2.1]oct-1(8)-ene (PubChem CID 154518637) has the molecular formula C8H12 and a molecular weight of 108.18 g/mol. Its IUPAC name is (5S)-bicyclo[3.2.1]oct-1(8)-ene.

Molecular Properties

Compound Name(5S)-bicyclo[3.2.1]oct-1(8)-ene
PubChem CID154518637
Molecular FormulaC8H12
Molecular Weight108.18 g/mol
Exact Mass108.09
IUPAC Name(5S)-bicyclo[3.2.1]oct-1(8)-ene
SMILESC1=C2CCC[C@H]1CC2
InChIInChI=1S/C8H12/c1-2-7-4-5-8(3-1)6-7/h6-7H,1-5H2/t7-/m0/s1
InChIKeyMBFPHWDWJOOHMO-ZETCQYMHSA-N
XLogP2.51
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 ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-methylidenebicyclo[3.2.1]oct-1(8)-ene
CID 147295924
9-methylbicyclo[5.4.2]tridec-8-ene
CID 123995868
bicyclo[3.3.2]dec-9-ene-9-carbaldehyde
CID 14961885
3-methylbicyclo[5.2.1]deca-1(10),3,4-triene
CID 163608088
1,2,3,3a-tetrahydropentalene;ethane
CID 91210695
1-chloro-3-propan-2-ylcyclohexene
CID 177223430
3-bromocyclohex-2-en-1-ol
CID 566108
1-(3-methylcyclohexen-1-yl)ethanone
CID 12567210
(19Z)-bicyclo[9.7.2]icos-19-ene
CID 177397060
2-iminocyclopentan-1-ol
CID 131743641
3-iodo-1-methylcyclohexene
CID 86119849
6-methylbicyclo[3.2.0]hept-1(7)-ene
CID 143301654

Frequently Asked Questions

What is the IUPAC name of (5S)-bicyclo[3.2.1]oct-1(8)-ene?
The IUPAC name of (5S)-bicyclo[3.2.1]oct-1(8)-ene (CID 154518637) is (5S)-bicyclo[3.2.1]oct-1(8)-ene.
What is the SMILES notation for (5S)-bicyclo[3.2.1]oct-1(8)-ene?
The canonical SMILES for (5S)-bicyclo[3.2.1]oct-1(8)-ene is C1=C2CCC[C@H]1CC2.
What is the InChIKey of (5S)-bicyclo[3.2.1]oct-1(8)-ene?
The InChIKey is MBFPHWDWJOOHMO-ZETCQYMHSA-N. The full InChI is InChI=1S/C8H12/c1-2-7-4-5-8(3-1)6-7/h6-7H,1-5H2/t7-/m0/s1.
What are the key properties of (5S)-bicyclo[3.2.1]oct-1(8)-ene?
(5S)-bicyclo[3.2.1]oct-1(8)-ene has a molecular weight of 108.18 g/mol, XLogP of 2.51, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-bicyclo[3.2.1]oct-1(8)-ene is sourced from PubChem (CID 154518637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).