2-methyl-4-methylidene-2-pentyloxane

C12H22O — CID 164909438

IUPAC2-methyl-4-methylidene-2-pentyloxane
SMILESC=C1CCOC(C)(CCCCC)C1
InChIInChI=1S/C12H22O/c1-4-5-6-8-12(3)10-11(2)7-9-13-12/h2,4-10H2,1,3H3
InChIKeyYZHAQXDWIMDSDO-UHFFFAOYSA-N
MW182.31 g/mol
LogP3.69
Rot. Bonds4

About 2-methyl-4-methylidene-2-pentyloxane

2-methyl-4-methylidene-2-pentyloxane (PubChem CID 164909438) has the molecular formula C12H22O and a molecular weight of 182.31 g/mol. Its IUPAC name is 2-methyl-4-methylidene-2-pentyloxane.

Molecular Properties

Compound Name2-methyl-4-methylidene-2-pentyloxane
PubChem CID164909438
Molecular FormulaC12H22O
Molecular Weight182.31 g/mol
Exact Mass182.17
IUPAC Name2-methyl-4-methylidene-2-pentyloxane
SMILESC=C1CCOC(C)(CCCCC)C1
InChIInChI=1S/C12H22O/c1-4-5-6-8-12(3)10-11(2)7-9-13-12/h2,4-10H2,1,3H3
InChIKeyYZHAQXDWIMDSDO-UHFFFAOYSA-N
XLogP3.69
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.31
LogP ≤ 53.69
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 2-methyl-4-methylidene-2-pentyloxane?
The IUPAC name of 2-methyl-4-methylidene-2-pentyloxane (CID 164909438) is 2-methyl-4-methylidene-2-pentyloxane.
What is the SMILES notation for 2-methyl-4-methylidene-2-pentyloxane?
The canonical SMILES for 2-methyl-4-methylidene-2-pentyloxane is C=C1CCOC(C)(CCCCC)C1.
What is the InChIKey of 2-methyl-4-methylidene-2-pentyloxane?
The InChIKey is YZHAQXDWIMDSDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O/c1-4-5-6-8-12(3)10-11(2)7-9-13-12/h2,4-10H2,1,3H3.
What are the key properties of 2-methyl-4-methylidene-2-pentyloxane?
2-methyl-4-methylidene-2-pentyloxane has a molecular weight of 182.31 g/mol, XLogP of 3.69, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-methylidene-2-pentyloxane is sourced from PubChem (CID 164909438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).