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

C11H18O — CID 134995544

IUPAC(4Z)-3-ethenyl-4-pentylideneoxolane
SMILESC=CC1COC/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+
InChIKeyQZWBAGDQWAYZER-YRNVUSSQSA-N
MW166.26 g/mol
LogP2.94
Rot. Bonds4

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

(4Z)-3-ethenyl-4-pentylideneoxolane (PubChem CID 134995544) has the molecular formula C11H18O and a molecular weight of 166.26 g/mol. Its IUPAC name is (4Z)-3-ethenyl-4-pentylideneoxolane.

Molecular Properties

Compound Name(4Z)-3-ethenyl-4-pentylideneoxolane
PubChem CID134995544
Molecular FormulaC11H18O
Molecular Weight166.26 g/mol
Exact Mass166.14
IUPAC Name(4Z)-3-ethenyl-4-pentylideneoxolane
SMILESC=CC1COC/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+
InChIKeyQZWBAGDQWAYZER-YRNVUSSQSA-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

Marmelo oxide B
CID 14379831
Marmelo oxide A
CID 14379832
5,6-dihydro-4-methyl-2-(2-methylpropyl)-2H-pyran
CID 108398
4-Methyl-2-(3-methylbuta-1,3-dienyl)oxolane
CID 86247097
2,6-Octadiene, 3,7-dimethyl-1-(2-propenyloxy)-
CID 5362835
4-methyl-2-[(1Z)-3-methylbuta-1,3-dienyl]oxolane
CID 131751905
5-Isopropenyl-3-isopropyl-2,2-dimethyl-2,5-dihydrofuran
CID 596568
(3aS,4Z,6R,7E,9E)-6-methyl-8-(prop-2-enoxymethyl)-1,3,3a,6-tetrahydrocycloocta[c]furan
CID 101190186
(E)-3,7-Dimethyl-1-(2-methylpropoxy)-2,6-octadiene
CID 163184442
1-Allyloxy-3,7-dimethyl-octa-2,6-diene
CID 534973
Geraniol butyl ether
CID 14083497
1-Ethoxy-2,6-dimethyl-2,7-octadiene
CID 53699554

Frequently Asked Questions

What is the IUPAC name of (4Z)-3-ethenyl-4-pentylideneoxolane?
The IUPAC name of (4Z)-3-ethenyl-4-pentylideneoxolane (CID 134995544) is (4Z)-3-ethenyl-4-pentylideneoxolane.
What is the SMILES notation for (4Z)-3-ethenyl-4-pentylideneoxolane?
The canonical SMILES for (4Z)-3-ethenyl-4-pentylideneoxolane is C=CC1COC/C1=C\CCCC.
What is the InChIKey of (4Z)-3-ethenyl-4-pentylideneoxolane?
The InChIKey is QZWBAGDQWAYZER-YRNVUSSQSA-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+.
What are the key properties of (4Z)-3-ethenyl-4-pentylideneoxolane?
(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 (4Z)-3-ethenyl-4-pentylideneoxolane is sourced from PubChem (CID 134995544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).