5-methylidene-2-pentyloxane

C11H20O — CID 118489514

IUPAC5-methylidene-2-pentyloxane
SMILESC=C1CCC(CCCCC)OC1
InChIInChI=1S/C11H20O/c1-3-4-5-6-11-8-7-10(2)9-12-11/h11H,2-9H2,1H3
InChIKeyIQQUYERSOWYICX-UHFFFAOYSA-N
MW168.28 g/mol
LogP3.30
Rot. Bonds4

About 5-methylidene-2-pentyloxane

5-methylidene-2-pentyloxane (PubChem CID 118489514) has the molecular formula C11H20O and a molecular weight of 168.28 g/mol. Its IUPAC name is 5-methylidene-2-pentyloxane.

Molecular Properties

Compound Name5-methylidene-2-pentyloxane
PubChem CID118489514
Molecular FormulaC11H20O
Molecular Weight168.28 g/mol
Exact Mass168.15
IUPAC Name5-methylidene-2-pentyloxane
SMILESC=C1CCC(CCCCC)OC1
InChIInChI=1S/C11H20O/c1-3-4-5-6-11-8-7-10(2)9-12-11/h11H,2-9H2,1H3
InChIKeyIQQUYERSOWYICX-UHFFFAOYSA-N
XLogP3.30
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 53.30
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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Frequently Asked Questions

What is the IUPAC name of 5-methylidene-2-pentyloxane?
The IUPAC name of 5-methylidene-2-pentyloxane (CID 118489514) is 5-methylidene-2-pentyloxane.
What is the SMILES notation for 5-methylidene-2-pentyloxane?
The canonical SMILES for 5-methylidene-2-pentyloxane is C=C1CCC(CCCCC)OC1.
What is the InChIKey of 5-methylidene-2-pentyloxane?
The InChIKey is IQQUYERSOWYICX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O/c1-3-4-5-6-11-8-7-10(2)9-12-11/h11H,2-9H2,1H3.
What are the key properties of 5-methylidene-2-pentyloxane?
5-methylidene-2-pentyloxane has a molecular weight of 168.28 g/mol, XLogP of 3.30, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methylidene-2-pentyloxane is sourced from PubChem (CID 118489514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).