(4S,6aR)-2,3-dimethoxy-4-[(E)-4-methoxybut-3-enyl]-4,5,6,6a-tetrahydro-2H-cyclopenta[b]furan

C14H22O4 — CID 102165624

IUPAC(4S,6aR)-2,3-dimethoxy-4-[(E)-4-methoxybut-3-enyl]-4,5,6,6a-tetrahydro-2H-cyclopenta[b]furan
SMILESCO/C=C/CC[C@H]1CC[C@H]2OC(OC)C(OC)=C12
InChIInChI=1S/C14H22O4/c1-15-9-5-4-6-10-7-8-11-12(10)13(16-2)14(17-3)18-11/h5,9-11,14H,4,6-8H2,1-3H3/b9-5+/t10-,11+,14?/m0/s1
InChIKeyWEKMYAHALZXMKK-KOPRZENTSA-N
MW254.33 g/mol
LogP2.61
Rot. Bonds6

About (4S,6aR)-2,3-dimethoxy-4-[(E)-4-methoxybut-3-enyl]-4,5,6,6a-tetrahydro-2H-cyclopenta[b]furan

(4S,6aR)-2,3-dimethoxy-4-[(E)-4-methoxybut-3-enyl]-4,5,6,6a-tetrahydro-2H-cyclopenta[b]furan (PubChem CID 102165624) has the molecular formula C14H22O4 and a molecular weight of 254.33 g/mol. Its IUPAC name is (4S,6aR)-2,3-dimethoxy-4-[(E)-4-methoxybut-3-enyl]-4,5,6,6a-tetrahydro-2H-cyclopenta[b]furan.

Molecular Properties

Compound Name(4S,6aR)-2,3-dimethoxy-4-[(E)-4-methoxybut-3-enyl]-4,5,6,6a-tetrahydro-2H-cyclopenta[b]furan
PubChem CID102165624
Molecular FormulaC14H22O4
Molecular Weight254.33 g/mol
Exact Mass254.15
IUPAC Name(4S,6aR)-2,3-dimethoxy-4-[(E)-4-methoxybut-3-enyl]-4,5,6,6a-tetrahydro-2H-cyclopenta[b]furan
SMILESCO/C=C/CC[C@H]1CC[C@H]2OC(OC)C(OC)=C12
InChIInChI=1S/C14H22O4/c1-15-9-5-4-6-10-7-8-11-12(10)13(16-2)14(17-3)18-11/h5,9-11,14H,4,6-8H2,1-3H3/b9-5+/t10-,11+,14?/m0/s1
InChIKeyWEKMYAHALZXMKK-KOPRZENTSA-N
XLogP2.61
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

(4R,6aS)-2,3-dimethoxy-4-(4-methoxybut-3-enyl)-4,5,6,6a-tetrahydro-2H-cyclopenta[b]furan
CID 135015793
(5S)-2,3-dimethoxy-4-(5-methoxypent-4-enyl)-5-methyl-2,5-dihydrofuran
CID 135015993
(4R,6aS)-2,3-dimethoxy-4-[(E)-4-methoxybut-3-enyl]-4,5,6,6a-tetrahydro-2H-cyclopenta[b]furan
CID 102165625

Frequently Asked Questions

What is the IUPAC name of (4S,6aR)-2,3-dimethoxy-4-[(E)-4-methoxybut-3-enyl]-4,5,6,6a-tetrahydro-2H-cyclopenta[b]furan?
The IUPAC name of (4S,6aR)-2,3-dimethoxy-4-[(E)-4-methoxybut-3-enyl]-4,5,6,6a-tetrahydro-2H-cyclopenta[b]furan (CID 102165624) is (4S,6aR)-2,3-dimethoxy-4-[(E)-4-methoxybut-3-enyl]-4,5,6,6a-tetrahydro-2H-cyclopenta[b]furan.
What is the SMILES notation for (4S,6aR)-2,3-dimethoxy-4-[(E)-4-methoxybut-3-enyl]-4,5,6,6a-tetrahydro-2H-cyclopenta[b]furan?
The canonical SMILES for (4S,6aR)-2,3-dimethoxy-4-[(E)-4-methoxybut-3-enyl]-4,5,6,6a-tetrahydro-2H-cyclopenta[b]furan is CO/C=C/CC[C@H]1CC[C@H]2OC(OC)C(OC)=C12.
What is the InChIKey of (4S,6aR)-2,3-dimethoxy-4-[(E)-4-methoxybut-3-enyl]-4,5,6,6a-tetrahydro-2H-cyclopenta[b]furan?
The InChIKey is WEKMYAHALZXMKK-KOPRZENTSA-N. The full InChI is InChI=1S/C14H22O4/c1-15-9-5-4-6-10-7-8-11-12(10)13(16-2)14(17-3)18-11/h5,9-11,14H,4,6-8H2,1-3H3/b9-5+/t10-,11+,14?/m0/s1.
What are the key properties of (4S,6aR)-2,3-dimethoxy-4-[(E)-4-methoxybut-3-enyl]-4,5,6,6a-tetrahydro-2H-cyclopenta[b]furan?
(4S,6aR)-2,3-dimethoxy-4-[(E)-4-methoxybut-3-enyl]-4,5,6,6a-tetrahydro-2H-cyclopenta[b]furan has a molecular weight of 254.33 g/mol, XLogP of 2.61, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,6aR)-2,3-dimethoxy-4-[(E)-4-methoxybut-3-enyl]-4,5,6,6a-tetrahydro-2H-cyclopenta[b]furan is sourced from PubChem (CID 102165624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).