(4S)-7-oxabicyclo[2.2.1]hept-2-ene

C6H8O — CID 149332288

IUPAC(4S)-7-oxabicyclo[2.2.1]hept-2-ene
SMILESC1=C[C@@H]2CCC1O2
InChIInChI=1S/C6H8O/c1-2-6-4-3-5(1)7-6/h1-2,5-6H,3-4H2/t5-,6?/m1/s1
InChIKeyYCNYCBYHUAGZIZ-LWOQYNTDSA-N
MW96.13 g/mol
LogP1.10
Rot. Bonds

About (4S)-7-oxabicyclo[2.2.1]hept-2-ene

(4S)-7-oxabicyclo[2.2.1]hept-2-ene (PubChem CID 149332288) has the molecular formula C6H8O and a molecular weight of 96.13 g/mol. Its IUPAC name is (4S)-7-oxabicyclo[2.2.1]hept-2-ene.

Molecular Properties

Compound Name(4S)-7-oxabicyclo[2.2.1]hept-2-ene
PubChem CID149332288
Molecular FormulaC6H8O
Molecular Weight96.13 g/mol
Exact Mass96.06
IUPAC Name(4S)-7-oxabicyclo[2.2.1]hept-2-ene
SMILESC1=C[C@@H]2CCC1O2
InChIInChI=1S/C6H8O/c1-2-6-4-3-5(1)7-6/h1-2,5-6H,3-4H2/t5-,6?/m1/s1
InChIKeyYCNYCBYHUAGZIZ-LWOQYNTDSA-N
XLogP1.10
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50096.13
LogP ≤ 51.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

9-oxa-3-azabicyclo[4.2.1]non-7-ene
CID 55286417
cyclohexene;cyclopentene;2,3-dihydro-1,4-dioxine;2,3-dihydrofuran;3,4-dihydro-2H-pyran;methane;7-oxabicyclo[2.2.1]hept-2-ene
CID 158943881
cyclohexene;cyclopentene;2,3-dihydro-1,4-dioxine;2,3-dihydrofuran;3,4-dihydro-2H-pyran;7-oxabicyclo[2.2.1]hept-2-ene
CID 161378411
(1R,5R)-9-oxabicyclo[3.3.1]nona-2,6-diene
CID 11434937
(1R,2R,5R)-9-oxabicyclo[3.3.1]non-6-en-2-ol
CID 11263529
(1S,2S,5S)-9-oxabicyclo[3.3.1]non-6-en-2-ol
CID 12591215
8-oxabicyclo[3.2.1]oct-6-en-3-one;yttrium
CID 135045719
ethyl (1R,3S,4S)-2-oxabicyclo[2.2.2]oct-5-ene-3-carboxylate
CID 10899289
3-tert-butyl-8-oxabicyclo[3.2.1]oct-6-en-3-ol
CID 76587625
4-methyl-6,7-dioxabicyclo[3.2.2]non-2-ene
CID 135042057
3,9-dioxabicyclo[4.2.1]non-7-en-4-one
CID 73124090
3-(methoxymethylidene)-8-oxabicyclo[3.2.1]oct-6-ene
CID 18173092

Frequently Asked Questions

What is the IUPAC name of (4S)-7-oxabicyclo[2.2.1]hept-2-ene?
The IUPAC name of (4S)-7-oxabicyclo[2.2.1]hept-2-ene (CID 149332288) is (4S)-7-oxabicyclo[2.2.1]hept-2-ene.
What is the SMILES notation for (4S)-7-oxabicyclo[2.2.1]hept-2-ene?
The canonical SMILES for (4S)-7-oxabicyclo[2.2.1]hept-2-ene is C1=C[C@@H]2CCC1O2.
What is the InChIKey of (4S)-7-oxabicyclo[2.2.1]hept-2-ene?
The InChIKey is YCNYCBYHUAGZIZ-LWOQYNTDSA-N. The full InChI is InChI=1S/C6H8O/c1-2-6-4-3-5(1)7-6/h1-2,5-6H,3-4H2/t5-,6?/m1/s1.
What are the key properties of (4S)-7-oxabicyclo[2.2.1]hept-2-ene?
(4S)-7-oxabicyclo[2.2.1]hept-2-ene has a molecular weight of 96.13 g/mol, XLogP of 1.10, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-7-oxabicyclo[2.2.1]hept-2-ene is sourced from PubChem (CID 149332288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).