(3S,3aR,6R,6aR)-6a-ethenyl-3,6-dimethyl-3,3a,5,6-tetrahydro-2H-furo[3,2-b]furan

C10H16O2 — CID 130283375

IUPAC(3S,3aR,6R,6aR)-6a-ethenyl-3,6-dimethyl-3,3a,5,6-tetrahydro-2H-furo[3,2-b]furan
SMILESC=C[C@]12OC[C@H](C)[C@H]1OC[C@H]2C
InChIInChI=1S/C10H16O2/c1-4-10-8(3)6-11-9(10)7(2)5-12-10/h4,7-9H,1,5-6H2,2-3H3/t7-,8+,9+,10+/m0/s1
InChIKeyBFOSPBCPORDQDB-SGIHWFKDSA-N
MW168.24 g/mol
LogP1.61
Rot. Bonds1

About (3S,3aR,6R,6aR)-6a-ethenyl-3,6-dimethyl-3,3a,5,6-tetrahydro-2H-furo[3,2-b]furan

(3S,3aR,6R,6aR)-6a-ethenyl-3,6-dimethyl-3,3a,5,6-tetrahydro-2H-furo[3,2-b]furan (PubChem CID 130283375) has the molecular formula C10H16O2 and a molecular weight of 168.24 g/mol. Its IUPAC name is (3S,3aR,6R,6aR)-6a-ethenyl-3,6-dimethyl-3,3a,5,6-tetrahydro-2H-furo[3,2-b]furan.

Molecular Properties

Compound Name(3S,3aR,6R,6aR)-6a-ethenyl-3,6-dimethyl-3,3a,5,6-tetrahydro-2H-furo[3,2-b]furan
PubChem CID130283375
Molecular FormulaC10H16O2
Molecular Weight168.24 g/mol
Exact Mass168.12
IUPAC Name(3S,3aR,6R,6aR)-6a-ethenyl-3,6-dimethyl-3,3a,5,6-tetrahydro-2H-furo[3,2-b]furan
SMILESC=C[C@]12OC[C@H](C)[C@H]1OC[C@H]2C
InChIInChI=1S/C10H16O2/c1-4-10-8(3)6-11-9(10)7(2)5-12-10/h4,7-9H,1,5-6H2,2-3H3/t7-,8+,9+,10+/m0/s1
InChIKeyBFOSPBCPORDQDB-SGIHWFKDSA-N
XLogP1.61
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 (3S,3aR,6R,6aR)-6a-ethenyl-3,6-dimethyl-3,3a,5,6-tetrahydro-2H-furo[3,2-b]furan?
The IUPAC name of (3S,3aR,6R,6aR)-6a-ethenyl-3,6-dimethyl-3,3a,5,6-tetrahydro-2H-furo[3,2-b]furan (CID 130283375) is (3S,3aR,6R,6aR)-6a-ethenyl-3,6-dimethyl-3,3a,5,6-tetrahydro-2H-furo[3,2-b]furan.
What is the SMILES notation for (3S,3aR,6R,6aR)-6a-ethenyl-3,6-dimethyl-3,3a,5,6-tetrahydro-2H-furo[3,2-b]furan?
The canonical SMILES for (3S,3aR,6R,6aR)-6a-ethenyl-3,6-dimethyl-3,3a,5,6-tetrahydro-2H-furo[3,2-b]furan is C=C[C@]12OC[C@H](C)[C@H]1OC[C@H]2C.
What is the InChIKey of (3S,3aR,6R,6aR)-6a-ethenyl-3,6-dimethyl-3,3a,5,6-tetrahydro-2H-furo[3,2-b]furan?
The InChIKey is BFOSPBCPORDQDB-SGIHWFKDSA-N. The full InChI is InChI=1S/C10H16O2/c1-4-10-8(3)6-11-9(10)7(2)5-12-10/h4,7-9H,1,5-6H2,2-3H3/t7-,8+,9+,10+/m0/s1.
What are the key properties of (3S,3aR,6R,6aR)-6a-ethenyl-3,6-dimethyl-3,3a,5,6-tetrahydro-2H-furo[3,2-b]furan?
(3S,3aR,6R,6aR)-6a-ethenyl-3,6-dimethyl-3,3a,5,6-tetrahydro-2H-furo[3,2-b]furan has a molecular weight of 168.24 g/mol, XLogP of 1.61, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,3aR,6R,6aR)-6a-ethenyl-3,6-dimethyl-3,3a,5,6-tetrahydro-2H-furo[3,2-b]furan is sourced from PubChem (CID 130283375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).