(3S,4Z)-3-[(E)-but-1-enyl]-4-ethylideneoxolane

C10H16O — CID 101386814

IUPAC(3S,4Z)-3-[(E)-but-1-enyl]-4-ethylideneoxolane
SMILESC/C=C1\COC[C@H]1/C=C/CC
InChIInChI=1S/C10H16O/c1-3-5-6-10-8-11-7-9(10)4-2/h4-6,10H,3,7-8H2,1-2H3/b6-5+,9-4+/t10-/m1/s1
InChIKeySLSNLZBBFFXGBN-XOTQETGJSA-N
MW152.24 g/mol
LogP2.55
Rot. Bonds2

About (3S,4Z)-3-[(E)-but-1-enyl]-4-ethylideneoxolane

(3S,4Z)-3-[(E)-but-1-enyl]-4-ethylideneoxolane (PubChem CID 101386814) has the molecular formula C10H16O and a molecular weight of 152.24 g/mol. Its IUPAC name is (3S,4Z)-3-[(E)-but-1-enyl]-4-ethylideneoxolane.

Molecular Properties

Compound Name(3S,4Z)-3-[(E)-but-1-enyl]-4-ethylideneoxolane
PubChem CID101386814
Molecular FormulaC10H16O
Molecular Weight152.24 g/mol
Exact Mass152.12
IUPAC Name(3S,4Z)-3-[(E)-but-1-enyl]-4-ethylideneoxolane
SMILESC/C=C1\COC[C@H]1/C=C/CC
InChIInChI=1S/C10H16O/c1-3-5-6-10-8-11-7-9(10)4-2/h4-6,10H,3,7-8H2,1-2H3/b6-5+,9-4+/t10-/m1/s1
InChIKeySLSNLZBBFFXGBN-XOTQETGJSA-N
XLogP2.55
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 52.55
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

(3aS,4Z,6R,7E,9E)-6-methyl-8-(prop-2-enoxymethyl)-1,3,3a,6-tetrahydrocycloocta[c]furan
CID 101190186
3-Ethyl-3,6-dihydro-2H-pyran
CID 13166770
1-Ethoxy-2,6-dimethyl-2,7-octadiene
CID 53699554
1-Butoxy-3,6-dimethyl-2,7-octadiene
CID 87449611
1-(3-Methylbutoxy)-2,7-dimethylocta-2,7-diene
CID 90962713
1-Butoxy-2,6-dimethyl-2,7-octadiene
CID 91083555
3-Ethylidenetetrahydrofuran
CID 123791702
5-Fluoro-2-(2-methylbutoxymethyl)cyclohexa-1,3-diene
CID 138484399
2H-Pyran, 5,6-dihydro-4-methyl-2-(1-methylethyl)-
CID 12283090
4,8-dimethyl-3,3a,6,7-tetrahydro-1H-cyclohepta[c]furan
CID 10607117
(3aS,6R)-6-methyl-1,3,3a,6-tetrahydro-2-benzofuran
CID 10725397
3,3a,6,7-tetrahydro-1H-cyclohepta[c]furan-8-yl(trimethyl)silane
CID 11063663

Frequently Asked Questions

What is the IUPAC name of (3S,4Z)-3-[(E)-but-1-enyl]-4-ethylideneoxolane?
The IUPAC name of (3S,4Z)-3-[(E)-but-1-enyl]-4-ethylideneoxolane (CID 101386814) is (3S,4Z)-3-[(E)-but-1-enyl]-4-ethylideneoxolane.
What is the SMILES notation for (3S,4Z)-3-[(E)-but-1-enyl]-4-ethylideneoxolane?
The canonical SMILES for (3S,4Z)-3-[(E)-but-1-enyl]-4-ethylideneoxolane is C/C=C1\COC[C@H]1/C=C/CC.
What is the InChIKey of (3S,4Z)-3-[(E)-but-1-enyl]-4-ethylideneoxolane?
The InChIKey is SLSNLZBBFFXGBN-XOTQETGJSA-N. The full InChI is InChI=1S/C10H16O/c1-3-5-6-10-8-11-7-9(10)4-2/h4-6,10H,3,7-8H2,1-2H3/b6-5+,9-4+/t10-/m1/s1.
What are the key properties of (3S,4Z)-3-[(E)-but-1-enyl]-4-ethylideneoxolane?
(3S,4Z)-3-[(E)-but-1-enyl]-4-ethylideneoxolane has a molecular weight of 152.24 g/mol, XLogP of 2.55, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4Z)-3-[(E)-but-1-enyl]-4-ethylideneoxolane is sourced from PubChem (CID 101386814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).