(4Z)-3-[(E)-but-1-enyl]-4-(ethoxymethylidene)oxolane

C11H18O2 — CID 135057221

IUPAC(4Z)-3-[(E)-but-1-enyl]-4-(ethoxymethylidene)oxolane
SMILESCC/C=C/C1COC/C1=C\OCC
InChIInChI=1S/C11H18O2/c1-3-5-6-10-7-13-9-11(10)8-12-4-2/h5-6,8,10H,3-4,7,9H2,1-2H3/b6-5+,11-8+
InChIKeyRNLSMTPQENTNBO-BXROQLSZSA-N
MW182.26 g/mol
LogP2.52
Rot. Bonds4

About (4Z)-3-[(E)-but-1-enyl]-4-(ethoxymethylidene)oxolane

(4Z)-3-[(E)-but-1-enyl]-4-(ethoxymethylidene)oxolane (PubChem CID 135057221) has the molecular formula C11H18O2 and a molecular weight of 182.26 g/mol. Its IUPAC name is (4Z)-3-[(E)-but-1-enyl]-4-(ethoxymethylidene)oxolane.

Molecular Properties

Compound Name(4Z)-3-[(E)-but-1-enyl]-4-(ethoxymethylidene)oxolane
PubChem CID135057221
Molecular FormulaC11H18O2
Molecular Weight182.26 g/mol
Exact Mass182.13
IUPAC Name(4Z)-3-[(E)-but-1-enyl]-4-(ethoxymethylidene)oxolane
SMILESCC/C=C/C1COC/C1=C\OCC
InChIInChI=1S/C11H18O2/c1-3-5-6-10-7-13-9-11(10)8-12-4-2/h5-6,8,10H,3-4,7,9H2,1-2H3/b6-5+,11-8+
InChIKeyRNLSMTPQENTNBO-BXROQLSZSA-N
XLogP2.52
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.26
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(3aS,4Z,6R,7E,9E)-6-methyl-8-(prop-2-enoxymethyl)-1,3,3a,6-tetrahydrocycloocta[c]furan
CID 101190186
(3aS,6R)-6-methyl-1,3,3a,6-tetrahydro-2-benzofuran
CID 10725397
(3aS,4Z,6R,7E,9E)-8-[[(2E,4E)-hexa-2,4-dienoxy]methyl]-6-methyl-1,3,3a,6-tetrahydrocycloocta[c]furan
CID 11196563
(4Z)-3-[(E)-2-but-2-ynoxyethenyl]-4-ethylideneoxolane
CID 11367532
6-Methyl-1,3,3a,6-tetrahydro-2-benzofuran
CID 23624501
(3Z,4R)-3-pentylidene-4-[(E)-prop-1-enyl]oxolane
CID 102509710
(3Z)-3-ethylidene-4-[(E)-prop-1-enyl]oxolane
CID 134931636
(4Z)-3-ethenyl-4-pentylideneoxolane
CID 134995544
(E)-2-[(4Z)-4-ethylideneoxolan-3-yl]ethenol
CID 135055073
[(E)-2-[(4Z)-4-ethylideneoxolan-3-yl]ethenyl] acetate
CID 135056942
(3E,5Z)-3-butoxy-4,8-dimethylnona-1,3,5-triene
CID 88957224
5-Hepta-1,3,5-trien-2-yl-2,3-dimethyl-2,3-dihydrofuran
CID 123568848

Frequently Asked Questions

What is the IUPAC name of (4Z)-3-[(E)-but-1-enyl]-4-(ethoxymethylidene)oxolane?
The IUPAC name of (4Z)-3-[(E)-but-1-enyl]-4-(ethoxymethylidene)oxolane (CID 135057221) is (4Z)-3-[(E)-but-1-enyl]-4-(ethoxymethylidene)oxolane.
What is the SMILES notation for (4Z)-3-[(E)-but-1-enyl]-4-(ethoxymethylidene)oxolane?
The canonical SMILES for (4Z)-3-[(E)-but-1-enyl]-4-(ethoxymethylidene)oxolane is CC/C=C/C1COC/C1=C\OCC.
What is the InChIKey of (4Z)-3-[(E)-but-1-enyl]-4-(ethoxymethylidene)oxolane?
The InChIKey is RNLSMTPQENTNBO-BXROQLSZSA-N. The full InChI is InChI=1S/C11H18O2/c1-3-5-6-10-7-13-9-11(10)8-12-4-2/h5-6,8,10H,3-4,7,9H2,1-2H3/b6-5+,11-8+.
What are the key properties of (4Z)-3-[(E)-but-1-enyl]-4-(ethoxymethylidene)oxolane?
(4Z)-3-[(E)-but-1-enyl]-4-(ethoxymethylidene)oxolane has a molecular weight of 182.26 g/mol, XLogP of 2.52, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-3-[(E)-but-1-enyl]-4-(ethoxymethylidene)oxolane is sourced from PubChem (CID 135057221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).