3-[(E)-hept-2-enyl]-4-methylideneoxolane

C12H20O — CID 11019470

IUPAC3-[(E)-hept-2-enyl]-4-methylideneoxolane
SMILESC=C1COCC1C/C=C/CCCC
InChIInChI=1S/C12H20O/c1-3-4-5-6-7-8-12-10-13-9-11(12)2/h6-7,12H,2-5,8-10H2,1H3/b7-6+
InChIKeyAOUMPRAJMDZIMJ-VOTSOKGWSA-N
MW180.29 g/mol
LogP3.33
Rot. Bonds5

About 3-[(E)-hept-2-enyl]-4-methylideneoxolane

3-[(E)-hept-2-enyl]-4-methylideneoxolane (PubChem CID 11019470) has the molecular formula C12H20O and a molecular weight of 180.29 g/mol. Its IUPAC name is 3-[(E)-hept-2-enyl]-4-methylideneoxolane.

Molecular Properties

Compound Name3-[(E)-hept-2-enyl]-4-methylideneoxolane
PubChem CID11019470
Molecular FormulaC12H20O
Molecular Weight180.29 g/mol
Exact Mass180.15
IUPAC Name3-[(E)-hept-2-enyl]-4-methylideneoxolane
SMILESC=C1COCC1C/C=C/CCCC
InChIInChI=1S/C12H20O/c1-3-4-5-6-7-8-12-10-13-9-11(12)2/h6-7,12H,2-5,8-10H2,1H3/b7-6+
InChIKeyAOUMPRAJMDZIMJ-VOTSOKGWSA-N
XLogP3.33
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.29
LogP ≤ 53.33
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

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4-(3-Methylbut-3-enyl)-4-prop-2-enoxycyclopentene
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Frequently Asked Questions

What is the IUPAC name of 3-[(E)-hept-2-enyl]-4-methylideneoxolane?
The IUPAC name of 3-[(E)-hept-2-enyl]-4-methylideneoxolane (CID 11019470) is 3-[(E)-hept-2-enyl]-4-methylideneoxolane.
What is the SMILES notation for 3-[(E)-hept-2-enyl]-4-methylideneoxolane?
The canonical SMILES for 3-[(E)-hept-2-enyl]-4-methylideneoxolane is C=C1COCC1C/C=C/CCCC.
What is the InChIKey of 3-[(E)-hept-2-enyl]-4-methylideneoxolane?
The InChIKey is AOUMPRAJMDZIMJ-VOTSOKGWSA-N. The full InChI is InChI=1S/C12H20O/c1-3-4-5-6-7-8-12-10-13-9-11(12)2/h6-7,12H,2-5,8-10H2,1H3/b7-6+.
What are the key properties of 3-[(E)-hept-2-enyl]-4-methylideneoxolane?
3-[(E)-hept-2-enyl]-4-methylideneoxolane has a molecular weight of 180.29 g/mol, XLogP of 3.33, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-hept-2-enyl]-4-methylideneoxolane is sourced from PubChem (CID 11019470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).