4-methyl-3-methylidene-2-pentyloxolane

C11H20O — CID 11030241

IUPAC4-methyl-3-methylidene-2-pentyloxolane
SMILESC=C1C(C)COC1CCCCC
InChIInChI=1S/C11H20O/c1-4-5-6-7-11-10(3)9(2)8-12-11/h9,11H,3-8H2,1-2H3
InChIKeyZUUJNXNDCCQUOZ-UHFFFAOYSA-N
MW168.28 g/mol
LogP3.16
Rot. Bonds4

About 4-methyl-3-methylidene-2-pentyloxolane

4-methyl-3-methylidene-2-pentyloxolane (PubChem CID 11030241) has the molecular formula C11H20O and a molecular weight of 168.28 g/mol. Its IUPAC name is 4-methyl-3-methylidene-2-pentyloxolane.

Molecular Properties

Compound Name4-methyl-3-methylidene-2-pentyloxolane
PubChem CID11030241
Molecular FormulaC11H20O
Molecular Weight168.28 g/mol
Exact Mass168.15
IUPAC Name4-methyl-3-methylidene-2-pentyloxolane
SMILESC=C1C(C)COC1CCCCC
InChIInChI=1S/C11H20O/c1-4-5-6-7-11-10(3)9(2)8-12-11/h9,11H,3-8H2,1-2H3
InChIKeyZUUJNXNDCCQUOZ-UHFFFAOYSA-N
XLogP3.16
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 ≤ 53.16
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 4-methyl-3-methylidene-2-pentyloxolane?
The IUPAC name of 4-methyl-3-methylidene-2-pentyloxolane (CID 11030241) is 4-methyl-3-methylidene-2-pentyloxolane.
What is the SMILES notation for 4-methyl-3-methylidene-2-pentyloxolane?
The canonical SMILES for 4-methyl-3-methylidene-2-pentyloxolane is C=C1C(C)COC1CCCCC.
What is the InChIKey of 4-methyl-3-methylidene-2-pentyloxolane?
The InChIKey is ZUUJNXNDCCQUOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O/c1-4-5-6-7-11-10(3)9(2)8-12-11/h9,11H,3-8H2,1-2H3.
What are the key properties of 4-methyl-3-methylidene-2-pentyloxolane?
4-methyl-3-methylidene-2-pentyloxolane has a molecular weight of 168.28 g/mol, XLogP of 3.16, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-methylidene-2-pentyloxolane is sourced from PubChem (CID 11030241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).