(3aE,6Z)-1,3,5,8,9,9a-hexahydrocycloocta[c]furan

C10H14O — CID 101190094

IUPAC(3aE,6Z)-1,3,5,8,9,9a-hexahydrocycloocta[c]furan
SMILESC1=C\CCC2COC/C2=C/C/1
InChIInChI=1S/C10H14O/c1-2-4-6-10-8-11-7-9(10)5-3-1/h1-2,5,10H,3-4,6-8H2/b2-1-,9-5-
InChIKeyBARNBZDPIOVFFZ-HBRSPCJUSA-N
MW150.22 g/mol
LogP2.30
Rot. Bonds

About (3aE,6Z)-1,3,5,8,9,9a-hexahydrocycloocta[c]furan

(3aE,6Z)-1,3,5,8,9,9a-hexahydrocycloocta[c]furan (PubChem CID 101190094) has the molecular formula C10H14O and a molecular weight of 150.22 g/mol. Its IUPAC name is (3aE,6Z)-1,3,5,8,9,9a-hexahydrocycloocta[c]furan.

Molecular Properties

Compound Name(3aE,6Z)-1,3,5,8,9,9a-hexahydrocycloocta[c]furan
PubChem CID101190094
Molecular FormulaC10H14O
Molecular Weight150.22 g/mol
Exact Mass150.10
IUPAC Name(3aE,6Z)-1,3,5,8,9,9a-hexahydrocycloocta[c]furan
SMILESC1=C\CCC2COC/C2=C/C/1
InChIInChI=1S/C10H14O/c1-2-4-6-10-8-11-7-9(10)5-3-1/h1-2,5,10H,3-4,6-8H2/b2-1-,9-5-
InChIKeyBARNBZDPIOVFFZ-HBRSPCJUSA-N
XLogP2.30
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.22
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3aE,6Z)-1,3,5,8,9,9a-hexahydrocycloocta[c]furan?
The IUPAC name of (3aE,6Z)-1,3,5,8,9,9a-hexahydrocycloocta[c]furan (CID 101190094) is (3aE,6Z)-1,3,5,8,9,9a-hexahydrocycloocta[c]furan.
What is the SMILES notation for (3aE,6Z)-1,3,5,8,9,9a-hexahydrocycloocta[c]furan?
The canonical SMILES for (3aE,6Z)-1,3,5,8,9,9a-hexahydrocycloocta[c]furan is C1=C\CCC2COC/C2=C/C/1.
What is the InChIKey of (3aE,6Z)-1,3,5,8,9,9a-hexahydrocycloocta[c]furan?
The InChIKey is BARNBZDPIOVFFZ-HBRSPCJUSA-N. The full InChI is InChI=1S/C10H14O/c1-2-4-6-10-8-11-7-9(10)5-3-1/h1-2,5,10H,3-4,6-8H2/b2-1-,9-5-.
What are the key properties of (3aE,6Z)-1,3,5,8,9,9a-hexahydrocycloocta[c]furan?
(3aE,6Z)-1,3,5,8,9,9a-hexahydrocycloocta[c]furan has a molecular weight of 150.22 g/mol, XLogP of 2.30, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3aE,6Z)-1,3,5,8,9,9a-hexahydrocycloocta[c]furan is sourced from PubChem (CID 101190094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).