(3R,4Z)-3-ethenyl-4-pentylideneoxolane

C11H18O — CID 11457887

IUPAC(3R,4Z)-3-ethenyl-4-pentylideneoxolane
SMILESC=C[C@H]1COC/C1=C\CCCC
InChIInChI=1S/C11H18O/c1-3-5-6-7-11-9-12-8-10(11)4-2/h4,7,10H,2-3,5-6,8-9H2,1H3/b11-7+/t10-/m0/s1
InChIKeyQZWBAGDQWAYZER-VUBLIPMDSA-N
MW166.26 g/mol
LogP2.94
Rot. Bonds4

About (3R,4Z)-3-ethenyl-4-pentylideneoxolane

(3R,4Z)-3-ethenyl-4-pentylideneoxolane (PubChem CID 11457887) has the molecular formula C11H18O and a molecular weight of 166.26 g/mol. Its IUPAC name is (3R,4Z)-3-ethenyl-4-pentylideneoxolane.

Molecular Properties

Compound Name(3R,4Z)-3-ethenyl-4-pentylideneoxolane
PubChem CID11457887
Molecular FormulaC11H18O
Molecular Weight166.26 g/mol
Exact Mass166.14
IUPAC Name(3R,4Z)-3-ethenyl-4-pentylideneoxolane
SMILESC=C[C@H]1COC/C1=C\CCCC
InChIInChI=1S/C11H18O/c1-3-5-6-7-11-9-12-8-10(11)4-2/h4,7,10H,2-3,5-6,8-9H2,1H3/b11-7+/t10-/m0/s1
InChIKeyQZWBAGDQWAYZER-VUBLIPMDSA-N
XLogP2.94
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.26
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(3Z,4S)-4-ethenyl-3-hexylideneoxolan-2-one
CID 102379185
(4Z)-3-ethenyl-4-[(4-methylphenyl)methylidene]oxolane
CID 15890703
(3R,4Z)-3-[(E)-but-1-enyl]-4-ethylideneoxolane
CID 101386813
pent-1-ene;pentylidenecyclopropane
CID 173050436
hex-1-ene;zinc
CID 174554611
2,6-dimethyl-4-pentylidenebicyclo[3.1.0]hexane
CID 123191792
but-1-ene;hexakis(hex-1-ene)
CID 161273113
but-1-ene;tetrakis(hex-1-ene)
CID 22000755
hex-1-ene;zirconium(4+);dichloride
CID 157382882
2-pentylidene-1,3-oxazolidine
CID 174633347
2-[(E)-hex-1-enyl]cyclopropan-1-one
CID 131236727
(Z)-dec-5-ene;hex-1-ene
CID 141304086

Frequently Asked Questions

What is the IUPAC name of (3R,4Z)-3-ethenyl-4-pentylideneoxolane?
The IUPAC name of (3R,4Z)-3-ethenyl-4-pentylideneoxolane (CID 11457887) is (3R,4Z)-3-ethenyl-4-pentylideneoxolane.
What is the SMILES notation for (3R,4Z)-3-ethenyl-4-pentylideneoxolane?
The canonical SMILES for (3R,4Z)-3-ethenyl-4-pentylideneoxolane is C=C[C@H]1COC/C1=C\CCCC.
What is the InChIKey of (3R,4Z)-3-ethenyl-4-pentylideneoxolane?
The InChIKey is QZWBAGDQWAYZER-VUBLIPMDSA-N. The full InChI is InChI=1S/C11H18O/c1-3-5-6-7-11-9-12-8-10(11)4-2/h4,7,10H,2-3,5-6,8-9H2,1H3/b11-7+/t10-/m0/s1.
What are the key properties of (3R,4Z)-3-ethenyl-4-pentylideneoxolane?
(3R,4Z)-3-ethenyl-4-pentylideneoxolane has a molecular weight of 166.26 g/mol, XLogP of 2.94, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4Z)-3-ethenyl-4-pentylideneoxolane is sourced from PubChem (CID 11457887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).